#------------------------------------------------------------------------------ #$Date: 2025-07-01 13:50:04 +0300 (Tue, 01 Jul 2025) $ #$Revision: 1133 $ #$URL: svn://localhost/testcod/cif/7/70/00/7700007.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_7700007 loop_ _publ_author_name 'Saura-M\'uzquiz, Matilde' 'Mullens, Bryce G.' 'Maynard-Casely, Helen E.' 'Kennedy, Brendan J.' _publ_section_title ; Neutron diffraction study of the monoclinic -- tetragonal phase transition in NdNbO4 and NdTaO4 ; _journal_issue 33 _journal_name_full 'Dalton Transactions' _journal_page_first 11485 _journal_page_last 11497 _journal_paper_doi 10.1039/D1DT01981C _journal_volume 50 _journal_year 2021 _chemical_formula_sum 'Nd O4 Ta' _chemical_formula_weight 389.18 _space_group_IT_number 15 _space_group_name_Hall '-I 2ya' _space_group_name_H-M_alt 'I 1 2/a 1' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'I 1 2/a 1' _audit_creation_date 2021-05-28T16:21 _audit_creation_method 'from EXP file using GSAS2CIF' _audit_update_record ' 2021-05-28T16:21 Initial CIF as created by GSAS2CIF' _cell_angle_alpha 90.0 _cell_angle_beta 95.7208(30) _cell_angle_gamma 90.0 _cell_formula_units_Z 4 _cell_length_a 5.50402(22) _cell_length_b 11.2142(5) _cell_length_c 5.10419(21) _cell_volume 313.48(2) _computing_structure_refinement GSAS _diffrn_radiation_probe neutron _diffrn_radiation_wavelength 1.5413 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 1.00000 _exptl_absorpt_process_details ; GSAS Absorption/surface roughness correction: function number 0 No correction is applied. ; _pd_block_id 2021-05-28T16:21|NDTAO4_CLOSED|bjk|wombat _pd_calc_method 'Rietveld Refinement' _pd_instr_location ' ?' _pd_meas_2theta_range_inc 0.0625 _pd_meas_2theta_range_max 132.4383 _pd_meas_2theta_range_min 19.5008 _pd_meas_number_of_points 1808 _pd_phase_name 'from C:/Experiments/2020/Wombat_August2020/NdTaO4_heating/NDTAO4_R' _pd_proc_2theta_range_inc 0.0625 _pd_proc_2theta_range_max 132.4065 _pd_proc_2theta_range_min 19.469 _pd_proc_info_datetime 2021-05-28T16:21:30 _pd_proc_info_excluded_regions ' ?' _pd_proc_ls_background_function ; GSAS Background function number 1 with 9 terms. Shifted Chebyshev function of 1st kind 1: 476.061 2: -23.3364 3: 10.1750 4: 10.8351 5: 0.989045 6: -5.95483 7: 1.42464 8: -6.51788 9: 2.54279 ; _pd_proc_ls_peak_cutoff 0.00100 _pd_proc_ls_profile_function ; CW Profile function number 4 with 21 terms Pseudovoigt profile coefficients as parameterized in P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83. Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994). J. Appl. Cryst.,27,892-900. Microstrain broadening by P.W. Stephens, (1999). J. Appl. Cryst.,32,281-289. #1(GU) = 811.902 #2(GV) = -939.932 #3(GW) = 475.431 #4(GP) = 0.000 #5(LX) = 10.353 #6(ptec) = 0.00 #7(trns) = 0.00 #8(shft) = 0.0000 #9(sfec) = 0.00 #10(S/L) = 0.0500 #11(H/L) = 0.0500 #12(eta) = 0.0000 #13(S400 ) = 0.0E+00 #14(S040 ) = 0.0E+00 #15(S004 ) = 0.0E+00 #16(S220 ) = 0.0E+00 #17(S202 ) = 0.0E+00 #18(S022 ) = 0.0E+00 #19(S301 ) = 0.0E+00 #20(S103 ) = 0.0E+00 #21(S121 ) = 0.0E+00 Peak tails are ignored where the intensity is below 0.0010 times the peak Aniso. broadening axis 0.0 0.0 1.0 ; _pd_proc_ls_prof_R_factor 0.0368 _pd_proc_ls_prof_wR_expected 0.0366 _pd_proc_ls_prof_wR_factor 0.0470 _pd_proc_number_of_points 1808 _pd_spec_mounting ' ?' _refine_ls_goodness_of_fit_all 1.29 _refine_ls_matrix_type full _refine_ls_number_parameters 31 _refine_ls_number_restraints 0 _refine_ls_R_Fsqd_factor 0.03795 _refine_ls_shift/su_max 0.01 _refine_ls_shift/su_mean 0.00 _reflns_d_resolution_high 0.843 _reflns_d_resolution_low 3.215 _reflns_limit_h_max 6 _reflns_limit_h_min 0 _reflns_limit_k_max 13 _reflns_limit_k_min 0 _reflns_limit_l_max 6 _reflns_limit_l_min -6 _reflns_number_total 273 _cod_data_source_file d1dt01981c4.cif _cod_data_source_block NDTAO4_CLOSED_publ _cod_original_cell_volume 313.479(25) _cod_database_code 7700007 _gsas_exptl_extinct_corr_t_min 1.00000 _gsas_exptl_extinct_corr_t_max 1.00000 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 +x,+y,+z 2 -x+1/2,+y,-z -1 -x,-y,-z -2 +x+1/2,-y,+z 101 +x+1/2,+y+1/2,+z+1/2 102 -x,+y+1/2,-z+1/2 -101 -x+1/2,-y+1/2,-z+1/2 -102 +x,-y+1/2,+z+1/2 loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_thermal_displace_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity Nd Nd1 0.25 0.11736(23) 0.0 1.0 Uiso 0.0046(5) 4 Ta Ta1 0.25 0.65064(20) 0.0 1.0 Uiso 0.0056(7) 4 O- O1 0.0147(4) 0.71803(19) 0.2180(5) 1.0 Uiso 0.0092(6) 8 O- O2 0.9019(4) 0.45638(20) 0.2387(5) 1.0 Uiso 0.0089(5) 8 loop_ _atom_type_symbol _atom_type_number_in_cell _atom_type_scat_length_neutron _atom_type_scat_source Nd+3 4.0 0.7690 International_Tables_Vol_C Ta+5 4.0 0.6910 International_Tables_Vol_C O-2 16.0 0.5803 International_Tables_Vol_C loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O1 Nd1 O1 86.70(13) -1_565 . -2_554 N O1 Nd1 O1 75.75(10) -1_565 . 101_544 N O1 Nd1 O1 64.50(7) -1_565 . 102_334 N O1 Nd1 O2 120.74(8) -1_565 . 101_444 N O1 Nd1 O2 124.36(7) -1_565 . 102_434 N O1 Nd1 O2 153.66(12) -1_565 . -101_544 N O1 Nd1 O2 67.10(8) -1_565 . -102_343 N O1 Nd1 O1 64.50(7) -2_554 . 101_544 N O1 Nd1 O1 75.75(10) -2_554 . 102_334 N O1 Nd1 O2 124.36(7) -2_554 . 101_444 N O1 Nd1 O2 120.74(8) -2_554 . 102_434 N O1 Nd1 O2 67.10(8) -2_554 . -101_544 N O1 Nd1 O2 153.66(12) -2_554 . -102_343 N O1 Nd1 O1 124.54(14) 101_544 . 102_334 N O1 Nd1 O2 76.20(8) 101_544 . 101_444 N O1 Nd1 O2 157.94(10) 101_544 . 102_434 N O1 Nd1 O2 89.80(8) 101_544 . -101_544 N O1 Nd1 O2 109.14(9) 101_544 . -102_343 N O1 Nd1 O2 157.94(10) 102_334 . 101_444 N O1 Nd1 O2 76.20(8) 102_334 . 102_434 N O1 Nd1 O2 109.14(9) 102_334 . -101_544 N O1 Nd1 O2 89.80(8) 102_334 . -102_343 N O2 Nd1 O2 84.61(14) 101_444 . 102_434 N O2 Nd1 O2 75.39(10) 101_444 . -101_544 N O2 Nd1 O2 74.72(8) 101_444 . -102_343 N O2 Nd1 O2 74.72(8) 102_434 . -101_544 N O2 Nd1 O2 75.39(10) 102_434 . -102_343 N O2 Nd1 O2 139.19(17) -101_544 . -102_343 N O1 Ta1 O1 134.22(19) 1_555 . 2_555 N O1 Ta1 O1 76.36(12) 1_555 . -101_454 N O1 Ta1 O1 75.48(7) 1_555 . -102_453 N O1 Ta1 O2 110.27(12) 1_555 . -1_665 N O1 Ta1 O2 99.11(11) 1_555 . -2_454 N O1 Ta1 O1 75.48(7) 2_555 . -101_454 N O1 Ta1 O1 76.36(12) 2_555 . -102_453 N O1 Ta1 O2 99.11(11) 2_555 . -1_665 N O1 Ta1 O2 110.27(12) 2_555 . -2_454 N O1 Ta1 O1 102.58(14) -101_454 . -102_453 N O1 Ta1 O2 173.37(11) -101_454 . -1_665 N O1 Ta1 O2 79.52(9) -101_454 . -2_454 N O1 Ta1 O2 79.52(9) -102_453 . -1_665 N O1 Ta1 O2 173.37(11) -102_453 . -2_454 N O2 Ta1 O2 99.09(18) -1_665 . -2_454 N Nd1 O1 Nd1 104.25(10) -1_565 . 101_455 N Nd1 O1 Ta1 114.71(12) -1_565 . 1_555 N Nd1 O1 Ta1 94.00(10) -1_565 . -101_665 N Nd1 O1 Ta1 129.26(13) 101_455 . 1_555 N Nd1 O1 Ta1 104.75(10) 101_455 . -101_665 N Ta1 O1 Ta1 103.64(12) 1_555 . -101_665 N Nd1 O2 Nd1 104.61(10) 101_555 . -101_555 N Nd1 O2 Ta1 133.07(12) 101_555 . -1_665 N Nd1 O2 Ta1 115.53(14) -101_755 . -1_665 N loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag Nd1 Nd1 3.808(4) . -1_555 N Nd1 Nd1 3.808(4) . -1_655 N Nd1 Nd1 3.920(4) . -101_443 N Nd1 Nd1 3.920(4) . -101_444 N Nd1 Ta1 3.5813(4) . 101_444 N Nd1 Ta1 3.5813(4) . 101_545 N Nd1 O1 2.5387(31) . -1_565 N Nd1 O1 2.5387(31) . -2_565 N Nd1 O1 2.4261(26) . 101_544 N Nd1 O1 2.4261(26) . 102_545 N Nd1 O2 2.4410(30) . 101_444 N Nd1 O2 2.4410(30) . 102_645 N Nd1 O2 2.3714(24) . -101_544 N Nd1 O2 2.3714(24) . -102_343 N Ta1 Nd1 3.5813(4) . 101_454 N Ta1 Nd1 3.5813(4) . 101_555 N Ta1 O1 1.9428(23) . 1_555 N Ta1 O1 1.9428(23) . 2_555 N Ta1 O1 2.3552(27) . -101_454 N Ta1 O1 2.3552(27) . -102_453 N Ta1 O2 1.8496(27) . -1_665 N Ta1 O2 1.8496(27) . -2_465 N O1 Nd1 2.5387(31) . -1_565 N O1 Nd1 2.4261(26) . 101_455 N O1 Ta1 1.9428(23) . 1_555 N O1 Ta1 2.3552(27) . -101_454 N O2 Nd1 2.4410(30) . 101_555 N O2 Nd1 2.3714(24) . -101_544 N O2 Ta1 1.8496(27) . -1_665 N loop_ _pd_meas_counts_total _pd_proc_ls_weight _pd_proc_intensity_bkg_calc _pd_calc_intensity_total 499.8 0.001993 516.16644 518.09088 522.3 0.001907 515.43707 517.02515 505.0 0.001975 514.72003 516.06183 514.0 0.001941 514.01520 515.18176 492.3 0.002029 513.32239 514.36407 472.6 0.002124 512.64160 513.59094 482.4 0.002066 511.97263 512.84973 503.0 0.001993 511.31534 512.13287 490.9 0.002029 510.66965 511.43570 507.8 0.001975 510.03540 510.71051 527.4 0.001890 509.41251 510.04773 509.2 0.001958 508.80081 509.39981 498.7 0.002011 508.20023 508.76617 497.9 0.002011 507.61060 508.14627 507.1 0.001975 507.03183 507.53964 520.7 0.001924 506.46378 506.94595 505.8 0.001975 505.90637 506.36484 543.9 0.001842 505.35947 505.79596 529.6 0.001890 504.82294 505.23901 495.5 0.002011 504.29669 504.69382 517.0 0.001941 503.78061 504.16006 495.0 0.002029 503.27457 503.63751 488.5 0.002047 502.77844 503.12598 490.6 0.002029 502.29218 502.62518 491.0 0.002029 501.81561 502.13507 533.0 0.001874 501.34863 501.65536 488.3 0.002047 500.89117 501.18591 486.3 0.002047 500.44308 500.72656 497.4 0.002011 500.00430 500.27707 467.5 0.002143 499.57468 499.83740 479.5 0.002085 499.15411 499.40738 516.3 0.001941 498.74252 498.98679 513.7 0.001941 498.33981 498.57553 491.5 0.002029 497.94583 498.17346 517.7 0.001924 497.56052 497.78049 479.1 0.002085 497.18375 497.39642 491.6 0.002029 496.81543 497.02118 507.9 0.001975 496.45547 496.65463 490.8 0.002029 496.10379 496.29666 493.6 0.002029 495.76022 495.94714 495.8 0.002011 495.42474 495.60593 519.1 0.001924 495.09723 495.27295 516.9 0.001941 494.77756 494.94806 504.5 0.001975 494.46564 494.63120 522.8 0.001907 494.16144 494.16547 520.1 0.001924 493.86478 493.86868 509.3 0.001958 493.57562 493.57941 533.3 0.001874 493.29385 493.29749 513.9 0.001941 493.01941 493.02289 479.1 0.002085 492.75214 492.75552 487.2 0.002047 492.49200 492.49527 484.5 0.002066 492.23892 492.24207 452.8 0.002204 491.99277 491.99582 475.9 0.002104 491.75348 491.75644 535.9 0.001874 491.52094 491.52380 473.3 0.002104 491.29507 491.29785 488.1 0.002047 491.07581 491.07584 517.8 0.001924 490.86307 490.86310 463.1 0.002163 490.65671 490.65677 456.9 0.002184 490.45673 490.45679 491.0 0.002029 490.26300 490.26303 500.3 0.001993 490.07544 490.07547 476.5 0.002104 489.89395 489.89401 472.8 0.002124 489.71848 489.71854 461.2 0.002163 489.54895 489.54901 501.8 0.001993 489.38525 489.38531 508.5 0.001958 489.22736 489.22739 496.8 0.002011 489.07510 489.07516 490.5 0.002047 488.92850 488.92856 515.7 0.001941 488.78741 490.59787 514.5 0.001941 488.65179 490.52231 473.2 0.002104 488.52155 490.45514 480.3 0.002085 488.39661 490.39655 493.3 0.002029 488.27692 490.34665 478.4 0.002085 488.16235 490.30560 510.9 0.001958 488.05289 490.27368 483.7 0.002066 487.94846 490.25101 474.3 0.002104 487.84894 490.23792 459.4 0.002184 487.75427 490.23459 494.0 0.002029 487.66443 490.24142 473.4 0.002104 487.57928 490.25876 489.6 0.002047 487.49881 490.28696 489.5 0.002047 487.42291 490.32651 516.7 0.001941 487.35153 490.37790 518.9 0.001924 487.28461 490.44165 518.5 0.001924 487.22208 490.51846 488.3 0.002047 487.16382 490.60901 511.0 0.001958 487.10983 490.71411 499.0 0.002011 487.06003 490.83475 506.2 0.001975 487.01434 490.97174 483.9 0.002066 486.97269 491.12643 487.8 0.002047 486.93506 491.30005 509.7 0.001958 486.90131 491.49411 490.4 0.002047 486.87143 491.71036 497.9 0.002011 486.84537 491.95074 513.9 0.001941 486.82303 492.21744 507.2 0.001975 486.80435 492.51306 479.4 0.002085 486.78931 492.84055 508.4 0.001975 486.77783 493.20337 499.8 0.001993 486.76981 493.60550 490.2 0.002047 486.76526 494.10440 479.7 0.002085 486.76407 494.60172 528.0 0.001890 486.76617 496.55731 512.9 0.001958 486.77158 497.22095 494.8 0.002029 486.78015 497.95959 496.0 0.002011 486.79190 498.78439 507.7 0.001975 486.80673 499.70850 485.3 0.002066 486.82458 500.74808 524.4 0.001907 486.84543 501.92291 496.9 0.002011 486.86920 503.25726 520.8 0.001924 486.89584 504.78171 561.6 0.001780 486.92532 506.53537 569.9 0.001751 486.95755 508.57095 524.1 0.001907 486.99249 510.96478 516.5 0.001941 487.03009 513.83948 513.6 0.001941 487.07031 517.41150 550.5 0.001811 487.11307 522.08398 519.1 0.001924 487.15836 528.60889 555.3 0.001795 487.20612 538.33716 566.2 0.001765 487.25626 553.55713 562.2 0.001780 487.30878 577.89215 605.8 0.001652 487.36359 616.69049 704.6 0.001424 487.42068 677.29224 817.1 0.001223 487.48001 768.93500 977.2 0.001021 487.54147 901.89203 1145.4 0.000875 487.60507 1085.35461 1430.2 0.000700 487.67075 1323.57446 1765.8 0.000567 487.73846 1610.34827 2028.1 0.000494 487.80817 1923.38452 2217.6 0.000451 487.87979 2221.59009 2393.0 0.000418 487.95334 2448.77661 2458.9 0.000406 488.02872 2545.99707 2401.3 0.000416 488.10590 2474.11865 2192.2 0.000457 488.18488 2241.28516 1933.8 0.000517 488.26556 1907.08728 1573.1 0.000634 488.34793 1548.73975 1199.8 0.000835 488.43195 1226.72363 965.9 0.001034 488.51755 973.30609 791.3 0.001266 488.60471 795.12891 695.1 0.001435 488.69339 681.68927 632.7 0.001575 488.78357 615.28448 550.2 0.001811 488.87515 578.72070 556.8 0.001795 488.96817 559.11694 568.8 0.001765 489.06253 548.42529 561.1 0.001780 489.15820 542.29181 575.4 0.001736 489.25519 538.62231 578.1 0.001736 489.35339 536.50531 558.2 0.001795 489.45282 535.59717 551.2 0.001811 489.55341 535.85760 521.4 0.001924 489.65515 537.50366 541.0 0.001842 489.75800 541.10791 568.8 0.001751 489.86191 547.82635 554.9 0.001795 489.96683 559.73193 613.9 0.001626 490.07275 580.23102 634.1 0.001575 490.17966 614.47919 693.8 0.001446 490.28748 669.62933 750.4 0.001332 490.39618 754.57794 902.3 0.001111 490.50577 878.68610 1194.0 0.000835 490.61615 1048.98743 1336.0 0.000747 490.72736 1265.76831 1559.1 0.000641 490.83932 1517.26599 1808.9 0.000554 490.95200 1775.80688 1951.3 0.000512 491.06540 1998.28601 2023.1 0.000494 491.17947 2133.60693 2060.5 0.000485 491.29416 2138.41821 1981.5 0.000505 491.40948 2000.25098 1682.7 0.000595 491.52539 1753.02112 1432.7 0.000696 491.64182 1460.09290 1098.9 0.000907 491.75879 1180.25781 874.0 0.001141 491.87622 949.93146 751.9 0.001332 491.99414 781.96790 662.5 0.001514 492.11252 671.69397 609.8 0.001639 492.23126 605.45361 565.1 0.001765 492.35040 568.16333 502.9 0.001993 492.46988 547.70819 523.9 0.001907 492.58972 536.14789 529.8 0.001890 492.70984 529.02655 507.9 0.001975 492.83023 524.12781 478.0 0.002085 492.95087 520.43469 511.1 0.001958 493.07172 517.48785 504.4 0.001975 493.19278 515.06464 524.5 0.001907 493.31400 513.03894 522.4 0.001907 493.43539 511.32846 512.5 0.001958 493.55688 509.87289 490.8 0.002029 493.67850 508.62646 495.2 0.002011 493.80017 507.55331 540.2 0.001858 493.92191 506.62503 514.0 0.001941 494.04364 505.81891 478.0 0.002085 494.16541 505.11661 497.6 0.002011 494.28717 504.50351 473.6 0.002104 494.40887 503.96747 502.6 0.001993 494.53055 503.63544 518.3 0.001924 494.65213 503.23059 498.2 0.002011 494.77359 501.09970 493.3 0.002029 494.89496 500.84955 496.6 0.002011 495.01617 500.63690 530.3 0.001890 495.13721 500.45566 490.6 0.002029 495.25809 500.29984 450.1 0.002225 495.37872 500.16391 496.8 0.002011 495.49918 500.04471 472.0 0.002124 495.61938 499.94235 476.6 0.002104 495.73932 499.86063 515.4 0.001941 495.85898 499.80499 509.7 0.001958 495.97833 499.78143 507.8 0.001975 496.09738 499.79572 490.8 0.002029 496.21609 499.85147 477.7 0.002085 496.33447 499.94800 490.2 0.002047 496.45248 500.07745 477.6 0.002085 496.57010 500.22226 461.8 0.002163 496.68732 500.35580 502.1 0.001993 496.80411 500.60342 501.0 0.001993 496.92047 500.91122 522.3 0.001907 497.03638 500.87692 487.3 0.002047 497.15182 500.79355 451.9 0.002204 497.26678 500.69794 482.9 0.002066 497.38126 500.62119 517.5 0.001941 497.49521 500.58075 481.2 0.002085 497.60864 500.58115 484.7 0.002066 497.72156 500.61780 475.8 0.002104 497.83389 500.68250 489.5 0.002047 497.94565 500.76724 499.5 0.002011 498.05685 500.86609 491.1 0.002029 498.16745 500.97562 473.6 0.002104 498.27744 501.09418 494.9 0.002029 498.38678 501.16965 496.8 0.002011 498.49551 499.92358 488.5 0.002047 498.60361 500.11371 470.2 0.002124 498.71103 500.31161 481.5 0.002085 498.81778 500.51843 476.1 0.002104 498.92383 500.73553 478.4 0.002085 499.02921 500.96454 493.5 0.002029 499.13388 501.20743 501.8 0.001993 499.23782 501.46680 471.6 0.002124 499.34103 501.74576 508.9 0.001958 499.44351 502.04813 523.0 0.001907 499.54526 502.37900 479.7 0.002085 499.64621 502.74509 478.0 0.002085 499.74640 503.15610 506.4 0.001975 499.84583 503.62744 506.9 0.001975 499.94446 504.18753 515.1 0.001941 500.04227 505.06677 516.8 0.001941 500.13928 506.03055 517.8 0.001924 500.23547 507.46124 508.5 0.001958 500.33084 509.74271 481.9 0.002066 500.42535 513.51172 515.8 0.001941 500.51904 519.71759 504.4 0.001975 500.61188 529.58911 524.4 0.001907 500.70386 544.39905 548.6 0.001826 500.79495 564.93781 599.6 0.001666 500.88516 590.76764 636.4 0.001575 500.97449 619.47729 643.5 0.001550 501.06293 646.51215 656.0 0.001526 501.15048 665.77905 691.5 0.001446 501.23712 671.39893 657.0 0.001526 501.32285 660.71283 611.7 0.001639 501.40762 636.87238 575.2 0.001736 501.49152 607.17584 556.4 0.001795 501.57443 578.64612 524.8 0.001907 501.65643 556.47504 514.8 0.001941 501.73749 540.65356 519.7 0.001924 501.81760 531.63464 518.0 0.001924 501.89673 528.32397 519.9 0.001924 501.97488 530.60986 516.0 0.001941 502.05209 537.56982 551.8 0.001811 502.12833 551.59326 546.5 0.001826 502.20358 575.83759 657.2 0.001526 502.27786 614.25702 698.3 0.001435 502.35114 670.20148 774.9 0.001294 502.42343 744.17047 836.2 0.001197 502.49472 831.30518 915.1 0.001089 502.56500 919.82898 964.4 0.001034 502.63428 991.87006 990.1 0.001008 502.70255 1027.76636 988.4 0.001014 502.76981 1014.23315 920.7 0.001089 502.83606 953.32251 869.4 0.001149 502.90128 863.14532 695.0 0.001435 502.96545 767.11407 639.0 0.001562 503.02863 682.89301 622.7 0.001600 503.09076 618.93170 589.2 0.001694 503.15186 575.89172 559.4 0.001780 503.21191 549.80371 526.1 0.0 503.27097 . 543.1 0.0 503.32895 . 581.6 0.0 503.38586 . 540.8 0.0 503.44177 . 563.2 0.0 503.49661 . 594.9 0.0 503.55038 . 689.1 0.0 503.60315 . 766.9 0.0 503.65482 . 835.2 0.0 503.70544 . 966.4 0.0 503.75504 . 1128.5 0.0 503.80353 . 1208.3 0.0 503.85098 . 1245.7 0.0 503.89737 . 1224.6 0.0 503.94272 . 1054.6 0.0 503.98697 . 932.5 0.0 504.03018 . 838.9 0.0 504.07230 . 798.3 0.0 504.11337 . 763.9 0.0 504.15338 . 757.4 0.0 504.19232 . 791.2 0.0 504.23019 . 736.2 0.0 504.26700 . 733.7 0.001362 504.30273 729.12274 709.4 0.001413 504.33743 698.43628 680.8 0.001468 504.37103 661.10693 608.6 0.001639 504.40356 626.92157 584.5 0.001708 504.43506 601.72455 571.7 0.001751 504.46548 587.56891 625.1 0.001600 504.49481 584.29413 613.0 0.001626 504.52310 591.72736 617.4 0.001626 504.55032 611.84204 652.5 0.001538 504.57651 650.27124 766.0 0.001303 504.60159 716.41034 839.9 0.001189 504.62564 821.37427 1007.0 0.000995 504.64862 973.52875 1267.7 0.000789 504.67056 1173.17041 1542.9 0.000647 504.69144 1406.50562 1722.2 0.000581 504.71127 1644.34717 1845.6 0.000541 504.73004 1846.02148 1979.9 0.000505 504.74774 1970.65662 2030.3 0.000492 504.76443 1998.83630 1961.7 0.000510 504.78006 1939.09656 1765.2 0.000567 504.79462 1808.41895 1586.7 0.000631 504.80817 1620.15637 1345.1 0.000742 504.82065 1396.02136 1136.0 0.000881 504.83212 1170.25098 985.0 0.001014 504.84253 973.52997 809.1 0.001240 504.85193 821.69257 702.5 0.001424 504.86029 716.73480 625.5 0.001600 504.86761 651.70013 616.0 0.001626 504.87390 616.02673 578.1 0.001736 504.87918 600.32037 570.1 0.001751 504.88345 597.87305 596.3 0.001680 504.88669 607.74677 633.2 0.001575 504.88892 634.35217 673.1 0.001491 504.89011 686.88129 791.1 0.001266 504.89032 779.71625 957.1 0.001047 504.88953 929.16309 1150.9 0.000870 504.88773 1146.36841 1456.1 0.000685 504.88492 1426.54395 1710.0 0.000583 504.88110 1739.19116 2007.1 0.000498 504.87631 2025.49487 2200.5 0.000455 504.87051 2208.61206 2179.9 0.000459 504.86377 2221.73291 1985.8 0.000503 504.85602 2050.81787 1748.5 0.000572 504.84726 1754.88672 1369.8 0.000730 504.83755 1424.34375 1057.2 0.000947 504.82687 1129.61389 813.3 0.001231 504.81525 905.23901 698.7 0.001435 504.80264 754.89441 607.5 0.001652 504.78906 663.81873 575.5 0.001736 504.77454 611.97144 594.5 0.001680 504.75906 582.68311 540.9 0.001842 504.74265 565.28290 547.1 0.001826 504.72528 554.04443 588.4 0.001694 504.70697 546.22748 572.0 0.001751 504.68771 540.53760 544.4 0.001842 504.66754 536.28235 534.0 0.001874 504.64645 533.02606 554.6 0.001795 504.62442 530.47723 596.7 0.001680 504.60150 528.44537 544.8 0.001842 504.57764 526.81067 523.3 0.001907 504.55289 525.77417 533.5 0.001874 504.52722 524.57867 558.3 0.001795 504.50064 523.81195 561.2 0.001780 504.47321 523.28534 516.8 0.001941 504.44485 523.00360 580.2 0.001722 504.41562 522.99799 527.5 0.001890 504.38550 523.35291 530.9 0.001890 504.35449 524.26874 529.0 0.001890 504.32263 526.17786 523.6 0.001907 504.28992 529.92426 538.8 0.001858 504.25635 538.75403 570.4 0.001751 504.22189 553.54199 566.3 0.001765 504.18658 574.76508 586.9 0.001708 504.15045 606.80804 668.7 0.001491 504.11346 650.13068 725.1 0.001382 504.07565 701.46783 754.0 0.001322 504.03702 753.02173 818.5 0.001223 503.99753 793.48895 855.1 0.001173 503.95724 811.00507 778.1 0.001285 503.91614 802.89899 756.7 0.001322 503.87424 774.84753 777.2 0.001285 503.83151 738.45868 736.7 0.001362 503.78799 702.18774 716.0 0.001392 503.74368 672.94385 687.6 0.001457 503.69858 655.06946 708.8 0.001413 503.65268 653.92938 755.4 0.001322 503.60602 673.30676 793.2 0.001257 503.55859 712.93634 800.5 0.001249 503.51041 766.45856 831.8 0.001206 503.46143 820.79382 896.9 0.001119 503.41171 858.27570 889.1 0.001126 503.36127 862.78375 845.2 0.001181 503.31006 830.15155 792.0 0.001266 503.25812 770.77802 703.9 0.001424 503.20544 704.29272 610.8 0.001639 503.15204 645.73895 603.6 0.001652 503.09790 602.71985 612.8 0.001626 503.04306 576.50720 578.2 0.001736 502.98752 564.59357 598.9 0.001666 502.93127 563.16083 588.2 0.001694 502.87430 568.44128 611.1 0.001639 502.81665 576.95142 597.9 0.001666 502.75833 583.93311 614.8 0.001626 502.69931 591.40680 629.2 0.001587 502.63962 591.22467 581.1 0.001722 502.57928 586.11938 620.5 0.001613 502.51825 578.73450 595.1 0.001680 502.45657 571.97449 604.1 0.001652 502.39426 567.74884 557.3 0.001795 502.33127 566.84937 539.5 0.001858 502.26764 569.33374 563.6 0.001780 502.20340 575.01202 618.0 0.001613 502.13852 584.03772 634.6 0.001575 502.07303 597.49152 629.0 0.001587 502.00690 618.19574 672.1 0.001491 501.94019 652.02502 693.4 0.001446 501.87283 709.83337 769.7 0.001303 501.80490 809.76947 882.6 0.001134 501.73639 978.05011 1108.5 0.000902 501.66730 1247.58875 1492.0 0.000671 501.59760 1649.19983 2165.0 0.000462 501.52734 2194.98706 3018.5 0.0003318 501.45648 2855.91626 3791.4 0.0002635 501.38510 3545.85986 4300.5 0.0002324 501.31314 4125.92969 4324.1 0.0002310 501.24063 4433.56885 4190.3 0.0002389 501.16760 4348.48828 3794.7 0.0002635 501.09399 3877.88867 3093.4 0.0003235 501.01990 3169.33838 2338.4 0.000427 500.94525 2419.99829 1745.0 0.000572 500.87009 1775.78259 1246.6 0.000803 500.79440 1300.18872 969.9 0.001034 500.71820 990.87115 801.7 0.001249 500.64151 810.11890 742.2 0.001352 500.56430 712.75372 694.3 0.001446 500.48663 662.62573 655.5 0.001526 500.40848 637.19702 591.8 0.001694 500.32980 625.31567 599.9 0.001666 500.25070 623.46350 606.8 0.001652 500.17111 632.88019 653.7 0.001526 500.09106 658.98840 759.5 0.001313 500.01056 708.11407 862.4 0.001157 499.92960 785.88995 927.9 0.001075 499.84821 891.68115 1060.5 0.000941 499.76639 1013.50427 1188.6 0.000840 499.68411 1126.76868 1251.8 0.000798 499.60141 1198.58997 1208.4 0.000826 499.51831 1202.07800 1174.4 0.000850 499.43478 1138.26501 1083.0 0.000924 499.35086 1041.56775 1014.2 0.000989 499.26651 958.81805 979.5 0.001021 499.18179 932.50183 1002.1 0.000995 499.09668 997.83411 1152.3 0.000870 499.01117 1184.06116 1478.7 0.000675 498.92529 1500.02820 1974.8 0.000507 498.83902 1927.28943 2495.0 0.000400 498.75241 2398.89014 2833.1 0.000353 498.66544 2800.51465 2966.8 0.0003367 498.57809 2996.30884 2805.2 0.000356 498.49039 2896.02490 2493.1 0.000402 498.40237 2533.18262 2164.9 0.000462 498.31400 2044.84595 1607.0 0.000622 498.22528 1568.68665 1257.7 0.000793 498.13626 1186.65637 895.8 0.001119 498.04691 923.60791 729.5 0.001372 497.95724 765.73792 672.7 0.001491 497.86728 683.57916 619.7 0.001613 497.77701 649.03729 611.6 0.001639 497.68643 641.99701 662.1 0.001514 497.59555 649.22162 693.0 0.001446 497.50439 660.82141 683.1 0.001468 497.41296 668.04541 676.4 0.001479 497.32126 663.89954 671.3 0.001491 497.22928 646.54712 580.5 0.001722 497.13702 620.71704 555.1 0.001795 497.04453 593.48499 592.0 0.001694 496.95175 569.99408 541.9 0.001842 496.85876 552.10992 555.0 0.001795 496.76550 540.43506 528.4 0.001890 496.67203 533.25366 543.9 0.001842 496.57831 527.29102 552.6 0.001811 496.48434 522.75769 540.8 0.001842 496.39020 521.26666 517.9 0.001924 496.29581 520.35474 506.4 0.001975 496.20123 519.89008 515.7 0.001941 496.10641 519.89667 518.2 0.001924 496.01144 520.56470 527.0 0.001890 495.91623 522.33411 498.5 0.002011 495.82086 526.00824 506.3 0.001975 495.72531 532.78516 548.5 0.001826 495.62958 544.02789 561.1 0.001780 495.53366 560.62225 630.6 0.001587 495.43756 581.98816 654.2 0.001526 495.34134 605.21210 610.0 0.001639 495.24493 625.06049 681.9 0.001468 495.14838 635.43939 637.4 0.001575 495.05167 633.24603 680.8 0.001468 494.95483 622.10889 664.1 0.001502 494.85785 608.08411 606.6 0.001652 494.76074 601.94678 603.2 0.001652 494.66351 612.54565 628.6 0.001587 494.56613 651.38519 703.3 0.001424 494.46866 734.33881 887.4 0.001126 494.37106 875.40912 1135.3 0.000881 494.27338 1080.83081 1482.1 0.000675 494.17557 1336.03052 1694.5 0.000589 494.07767 1596.35132 1853.9 0.000538 493.97968 1790.64368 1794.9 0.000556 493.88159 1844.08936 1724.6 0.000581 493.78342 1727.98987 1504.7 0.000664 493.68518 1490.70422 1296.1 0.000772 493.58685 1217.06604 1038.1 0.000964 493.48846 973.25165 755.0 0.001322 493.39001 788.31329 675.2 0.001479 493.29150 669.69867 626.7 0.001600 493.19293 601.01520 601.7 0.001666 493.09433 564.35370 562.0 0.001780 492.99567 545.28198 560.1 0.001780 492.89694 534.84985 560.6 0.001780 492.79822 528.73724 522.4 0.001907 492.69943 524.34918 545.1 0.001842 492.60062 521.08655 543.4 0.001842 492.50180 518.57269 513.5 0.001941 492.40295 516.61633 507.4 0.001975 492.30408 515.10199 503.4 0.001993 492.20520 513.95190 531.8 0.001874 492.10632 513.11169 518.5 0.001924 492.00745 512.70441 491.5 0.002029 491.90857 512.74072 524.7 0.001907 491.80969 512.68213 539.1 0.001858 491.71082 512.85376 559.7 0.001780 491.61197 513.25989 515.0 0.001941 491.51312 513.91339 526.5 0.001907 491.41434 514.83728 504.6 0.001975 491.31555 516.06573 537.7 0.001858 491.21680 517.64728 533.0 0.001874 491.11807 519.64923 500.1 0.001993 491.01938 522.16443 500.4 0.001993 490.92075 525.32617 507.7 0.001975 490.82214 529.34271 533.5 0.001874 490.72360 534.59210 548.8 0.001826 490.62512 541.87134 525.3 0.001907 490.52670 552.99146 565.7 0.001765 490.42831 571.95764 567.6 0.001765 490.33002 606.85358 612.8 0.001626 490.23178 671.43671 703.6 0.001424 490.13364 785.35309 914.6 0.001096 490.03555 969.15314 1227.9 0.000816 489.93753 1232.99316 1624.7 0.000616 489.83963 1561.80115 1992.9 0.000503 489.74179 1903.56055 2276.4 0.000440 489.64404 2173.19800 2391.1 0.000418 489.54639 2282.34619 2255.0 0.000443 489.44885 2198.91333 1916.3 0.000521 489.35138 1969.45313 1549.1 0.000644 489.25406 1668.65881 1326.8 0.000755 489.15680 1365.32312 1058.2 0.000947 489.05969 1112.21936 950.7 0.001054 488.96268 934.64941 849.6 0.001181 488.86578 830.33459 811.9 0.001231 488.76901 779.93048 763.8 0.001313 488.67236 757.34528 751.8 0.001332 488.57584 738.42786 701.1 0.001424 488.47943 708.32489 692.7 0.001446 488.38318 670.64447 630.2 0.001587 488.28708 633.15497 604.7 0.001652 488.19107 604.15399 589.3 0.001694 488.09525 589.78790 577.9 0.001736 487.99954 593.53131 636.8 0.001575 487.90402 616.80267 701.5 0.001424 487.80862 658.26538 719.7 0.001392 487.71338 711.97278 784.2 0.001276 487.61829 765.97131 822.6 0.001214 487.52338 803.96814 750.7 0.001332 487.42862 812.80084 757.9 0.001322 487.33401 794.91895 725.8 0.001382 487.23959 770.92645 779.6 0.001285 487.14536 765.86237 766.2 0.001303 487.05127 796.80652 825.6 0.001214 486.95737 866.87158 931.1 0.001075 486.86365 962.22870 997.1 0.001001 486.77011 1053.83398 1099.5 0.000907 486.67676 1106.14990 1083.2 0.000924 486.58356 1094.37183 1021.3 0.000977 486.49060 1019.26428 910.9 0.001096 486.39780 905.63708 794.3 0.001257 486.30521 787.51263 667.8 0.001502 486.21280 687.65198 627.8 0.001587 486.12061 615.76099 529.7 0.001890 486.02859 570.34509 545.6 0.001826 485.93680 544.74670 533.6 0.001874 485.84518 531.81097 533.0 0.001874 485.75381 526.40283 498.8 0.002011 485.66263 525.92725 511.9 0.001958 485.57166 529.75171 506.5 0.001975 485.48090 538.26953 544.1 0.001842 485.39038 551.87677 545.7 0.001826 485.30005 569.97900 590.0 0.001694 485.20996 590.30511 593.9 0.001680 485.12009 609.19019 651.0 0.001538 485.03043 623.49048 623.6 0.001600 484.94098 634.33289 608.1 0.001639 484.85178 647.09357 626.0 0.001600 484.76282 672.91333 703.0 0.001424 484.67407 723.91974 825.4 0.001214 484.58557 806.43610 930.2 0.001075 484.49728 913.29004 1025.1 0.000977 484.40927 1020.11438 1131.1 0.000886 484.32144 1092.21643 1109.0 0.000902 484.23389 1094.74719 1086.6 0.000918 484.14658 1023.36066 983.1 0.001014 484.05951 908.12823 796.3 0.001257 483.97269 788.42822 705.0 0.001413 483.88608 691.30511 649.5 0.001538 483.79974 628.41718 570.4 0.001751 483.71365 600.63129 612.3 0.001639 483.62781 602.88580 632.8 0.001575 483.54224 626.71991 648.1 0.001538 483.45691 662.40216 680.5 0.001468 483.37183 696.50537 692.1 0.001446 483.28699 714.24609 675.0 0.001479 483.20242 705.47473 666.3 0.001502 483.11810 672.78241 656.7 0.001526 483.03406 629.25629 615.8 0.001626 482.95029 587.53296 557.2 0.001795 482.86676 554.72906 528.1 0.001890 482.78348 532.66962 526.2 0.001907 482.70047 519.74548 544.1 0.001842 482.61774 512.81482 495.9 0.002011 482.53528 509.87949 504.5 0.001975 482.45306 508.98254 519.6 0.001924 482.37112 509.27560 499.8 0.001993 482.28946 510.45801 525.7 0.001907 482.20807 512.59479 533.4 0.001874 482.12692 516.14679 543.8 0.001842 482.04608 522.26361 494.5 0.002029 481.96548 533.06512 530.5 0.001890 481.88516 553.37231 601.2 0.001666 481.80515 588.86530 656.4 0.001526 481.72537 647.52563 722.9 0.001382 481.64587 734.54584 828.7 0.001206 481.56668 849.89032 928.9 0.001075 481.48773 984.33746 1047.6 0.000953 481.40906 1118.74451 1178.4 0.000850 481.33069 1230.29590 1331.4 0.000751 481.25256 1305.01245 1418.5 0.000704 481.17474 1338.69324 1357.4 0.000738 481.09720 1321.34497 1221.1 0.000821 481.01993 1239.78687 1061.6 0.000941 480.94293 1103.04541 950.4 0.001054 480.86624 946.40173 787.6 0.001266 480.78979 804.14447 671.6 0.001491 480.71365 694.71387 610.0 0.001639 480.63779 621.92554 575.2 0.001736 480.56219 580.48218 529.9 0.001890 480.48691 562.73938 547.1 0.001826 480.41190 563.55304 574.5 0.001736 480.33716 583.02820 593.2 0.001680 480.26270 625.25616 699.5 0.001435 480.18851 694.74451 826.8 0.001206 480.11462 790.54553 894.9 0.001119 480.04102 900.39111 993.9 0.001008 479.96768 998.17767 1025.7 0.000977 479.89465 1049.90942 1001.6 0.001001 479.82187 1033.92957 947.1 0.001054 479.74942 963.71082 877.2 0.001141 479.67722 877.12250 773.0 0.001294 479.60529 806.37518 768.7 0.001303 479.53366 768.57874 775.9 0.001285 479.46231 763.46655 786.8 0.001276 479.39127 779.42322 786.3 0.001276 479.32047 802.81024 832.8 0.001197 479.24997 827.04218 894.3 0.001119 479.17975 851.22540 882.1 0.001134 479.10980 871.44250 876.9 0.001141 479.04016 880.23175 924.4 0.001082 478.97076 873.88489 840.0 0.001189 478.90167 850.46606 772.9 0.001294 478.83286 807.01642 702.4 0.001424 478.76434 746.35889 656.6 0.001526 478.69608 679.43073 612.9 0.001626 478.62808 619.13892 553.3 0.001811 478.56039 572.22760 525.6 0.001907 478.49298 539.88538 533.6 0.001874 478.42584 519.75952 504.5 0.001975 478.35895 508.13077 498.3 0.002011 478.29236 501.58072 485.1 0.002066 478.22604 497.74084 478.5 0.002085 478.16000 495.25107 479.4 0.002085 478.09424 493.45761 505.4 0.001975 478.02875 492.06918 506.5 0.001975 477.96353 490.94379 493.3 0.002029 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0.000989 447.49341 871.43005 1033.0 0.000970 447.58005 925.63965 1059.2 0.000947 447.66727 978.47736 1087.9 0.000918 447.75504 1025.47375 1166.7 0.000855 447.84338 1062.13062 1176.6 0.000850 447.93231 1084.68591 1126.7 0.000886 448.02182 1090.74792 1063.4 0.000941 448.11188 1079.59546 1028.6 0.000970 448.20248 1052.19116 974.4 0.001027 448.29364 1011.07202 897.7 0.001111 448.38538 960.02753 795.8 0.001257 448.47763 903.69501 771.9 0.001294 448.57043 846.28717 723.6 0.001382 448.66379 791.83679 674.4 0.001479 448.75769 743.47211 656.1 0.001526 448.85211 703.31738 677.7 0.001479 448.94705 672.36249 633.5 0.001575 449.04251 650.76941 642.8 0.001550 449.13849 637.91473 644.1 0.001550 449.23502 632.72974 653.8 0.001526 449.33203 633.50482 644.6 0.001550 449.42953 638.37073 659.2 0.001514 449.52756 645.46979 673.6 0.001479 449.62607 652.97418 676.8 0.001479 449.72510 659.46429 681.2 0.001468 449.82458 664.29626 692.1 0.001446 449.92456 667.32239 654.9 0.001526 450.02502 668.98273 680.9 0.001468 450.12598 669.68475 648.0 0.001538 450.22739 670.92291 661.0 0.001514 450.32925 673.18481 705.9 0.001413 450.43158 677.14368 704.1 0.001424 450.53439 683.17957 701.4 0.001424 450.63763 691.26892 758.4 0.001322 450.74130 700.94385 715.3 0.001403 450.84543 711.17004 738.4 0.001352 450.94998 721.14404 758.5 0.001322 451.05499 729.56366 754.7 0.001322 451.16040 735.58777 730.0 0.001372 451.26624 738.97028 754.4 0.001322 451.37247 740.29480 731.9 0.001362 451.47913 740.39740 761.7 0.001313 451.58621 740.24725 788.6 0.001266 451.69366 740.58417 716.0 0.001392 451.80151 741.70935 707.7 0.001413 451.90976 743.64795 698.0 0.001435 452.01837 745.92786 714.7 0.001403 452.12738 747.25720 726.6 0.001372 452.23672 748.01019 766.7 0.001303 452.34647 746.55255 724.3 0.001382 452.45654 742.11279 710.2 0.001403 452.56699 733.43750 748.6 0.001332 452.67780 720.17749 688.3 0.001457 452.78891 702.71765 638.1 0.001562 452.90039 681.91986 607.7 0.001639 453.01218 659.02704 604.8 0.001652 453.12430 635.36078 584.9 0.001708 453.23672 612.14941 537.9 0.001858 453.34946 590.49670 584.1 0.001708 453.46249 571.15753 522.4 0.001907 453.57584 554.78235 495.9 0.002011 453.68948 541.76349 526.2 0.001907 453.80341 532.28534 514.1 0.001941 453.91760 526.15460 495.1 0.002011 454.03207 523.64111 544.1 0.001842 454.14679 524.25531 551.2 0.001811 454.26178 527.66235 544.5 0.001842 454.37704 533.44525 563.8 0.001780 454.49252 541.13452 575.3 0.001736 454.60825 550.21844 571.1 0.001751 454.72421 560.15155 561.2 0.001780 454.84039 570.37030 561.8 0.001780 454.95679 580.38220 566.4 0.001765 455.07343 589.59662 601.5 0.001666 455.19022 597.84314 596.1 0.001680 455.30725 604.80792 634.6 0.001575 455.42444 610.85468 644.5 0.001550 455.54184 615.94885 602.2 0.001666 455.65939 620.44861 660.8 0.001514 455.77710 624.52161 632.5 0.001587 455.89499 628.17432 637.6 0.001562 456.01303 631.21869 636.4 0.001575 456.13123 633.15173 616.5 0.001626 456.24954 633.90131 631.8 0.001587 456.36801 632.98779 628.2 0.001587 456.48657 630.35944 622.6 0.001600 456.60529 626.25262 606.7 0.001652 456.72409 621.51392 624.8 0.001600 456.84299 616.94446 618.9 0.001613 456.96198 613.47205 600.8 0.001666 457.08105 611.92102 610.3 0.001639 457.20020 612.91302 654.5 0.001526 457.31943 616.79736 646.5 0.001550 457.43872 623.60809 641.7 0.001562 457.55804 632.97015 677.1 0.001479 457.67743 644.39716 698.2 0.001435 457.79684 656.87469 690.3 0.001446 457.91629 669.21722 707.7 0.001413 458.03577 680.09064 692.8 0.001446 458.15524 688.16931 677.1 0.001479 458.27472 692.36652 668.0 0.001502 458.39420 692.05444 671.7 0.001491 458.51364 687.24719 662.6 0.001514 458.63309 678.54956 642.9 0.001550 458.75250 666.97827 621.3 0.001613 458.87189 653.64172 627.6 0.001587 458.99121 639.82471 603.5 0.001652 459.11047 626.61169 613.4 0.001626 459.22968 615.01111 594.3 0.001680 459.34882 605.50641 576.7 0.001736 459.46786 598.71252 590.2 0.001694 459.58682 595.08807 591.9 0.001694 459.70566 594.60211 588.2 0.001694 459.82443 597.21381 607.7 0.001639 459.94305 602.72870 611.6 0.001639 460.06155 610.80566 634.3 0.001575 460.17993 620.95935 652.7 0.001538 460.29816 632.59113 713.9 0.001403 460.41623 644.90857 679.2 0.001468 460.53412 657.11749 700.0 0.001424 460.65186 668.31964 700.8 0.001424 460.76941 677.64532 679.0 0.001468 460.88678 684.47528 692.9 0.001446 461.00394 688.43347 712.9 0.001403 461.12091 689.48450 680.9 0.001468 461.23764 687.83795 713.7 0.001403 461.35413 683.70966 681.1 0.001468 461.47040 677.65283 619.3 0.001613 461.58643 669.82465 612.5 0.001639 461.70218 660.43573 645.8 0.001550 461.81769 649.67865 627.9 0.001587 461.93289 637.86670 603.8 0.001652 462.04782 625.34137 590.7 0.001694 462.16248 612.53973 541.2 0.001842 462.27679 599.91919 533.6 0.001874 462.39081 587.87042 562.0 0.001780 462.50452 576.71356 578.0 0.001736 462.61786 566.65649 508.9 0.001958 462.73087 557.80280 530.9 0.001890 462.84354 550.02374 530.6 0.001890 462.95581 543.48877 514.2 0.001941 463.06772 538.07928 529.8 0.001890 463.17926 533.62280 529.8 0.001890 463.29037 529.85168 518.2 0.001924 463.40112 526.78131 522.1 0.001924 463.51141 524.38348 529.9 0.001890 463.62131 522.67255 509.7 0.001958 463.73074 521.62994 506.6 0.001975 463.83975 521.45795 523.2 0.001907 463.94827 522.17084 531.2 0.001890 464.05637 523.86267 537.5 0.001858 464.16394 526.66058 529.9 0.001890 464.27106 530.66010 514.1 0.001941 464.37766 535.95410 537.9 0.001858 464.48376 543.00818 547.9 0.001826 464.58932 551.89587 586.0 0.001708 464.69437 562.88281 602.0 0.001666 464.79889 576.26489 586.1 0.001708 464.90283 592.39258 656.4 0.001526 465.00623 611.44080 697.6 0.001435 465.10904 633.70575 736.8 0.001362 465.21124 659.17572 784.6 0.001276 465.31290 687.64612 796.5 0.001257 465.41391 718.55371 809.7 0.001231 465.51431 751.24756 842.9 0.001189 465.61411 784.68939 874.5 0.001141 465.71323 817.56244 903.7 0.001104 465.81174 848.31268 929.2 0.001075 465.90955 875.26190 925.5 0.001082 466.00671 896.64703 970.9 0.001027 466.10318 910.99969 931.7 0.001075 466.19897 917.29602 888.8 0.001126 466.29404 915.19250 886.3 0.001126 466.38840 905.09033 835.1 0.001197 466.48203 888.02411 825.0 0.001214 466.57492 865.43860 786.8 0.001276 466.66705 838.95190 780.2 0.001285 466.75842 810.17340 753.7 0.001322 466.84903 780.63293 702.2 0.001424 466.93884 751.58459 671.9 0.001491 467.02789 724.21436 621.7 0.001613 467.11609 699.44061 652.5 0.001538 467.20349 677.99768 651.0 0.001538 467.29007 660.38641 624.9 0.001600 467.37579 646.86053 664.0 0.001502 467.46066 637.61200 659.1 0.001514 467.54468 632.55475 658.6 0.001514 467.62784 631.50616 669.5 0.001491 467.71008 634.20636 691.1 0.001446 467.79144 640.31311 696.2 0.001435 467.87189 649.41364 670.7 0.001491 467.95139 661.03528 766.9 0.001303 468.03000 674.65222 739.3 0.001352 468.10764 689.70160 771.5 0.001294 468.18433 705.67841 798.4 0.001249 468.26004 721.77014 762.4 0.001313 468.33478 737.78729 768.4 0.001303 468.40854 753.13837 811.9 0.001231 468.48126 767.42737 777.5 0.001285 468.55301 780.27277 853.9 0.001173 468.62372 791.27197 852.5 0.001173 468.69339 800.06445 797.1 0.001257 468.76199 806.01746 821.1 0.001214 468.82956 808.74042 803.4 0.001249 468.89603 807.81940 789.4 0.001266 468.96143 803.22772 779.8 0.001285 469.02573 794.38007 767.2 0.001303 469.08893 781.54913 733.8 0.001362 469.15100 765.15479 698.6 0.001435 469.21194 745.78577 694.5 0.001435 469.27173 724.18774 684.0 0.001457 469.33038 701.00262 643.2 0.001550 469.38785 677.39209 589.9 0.001694 469.44415 653.94818 547.8 0.001826 469.49927 631.30176 574.1 0.001736 469.55316 609.97357 568.2 0.001765 469.60583 590.35431 553.0 0.001811 469.65729 572.74078 537.0 0.001858 469.70752 557.20532 531.2 0.001890 469.75647 543.81647 518.5 0.001924 469.80420 532.56165 532.5 0.001874 469.85062 523.21399 475.9 0.002104 469.89575 515.67572 510.2 0.001958 469.93961 509.71448 493.5 0.002029 469.98215 505.13391 483.7 0.002066 470.02338 501.71051 479.2 0.002085 470.06323 499.24585 529.4 0.001890 470.10178 497.56418 479.8 0.002085 470.13895 496.51672 451.7 0.002204 470.17477 495.98297 508.3 0.001975 470.20920 495.88208 506.1 0.001975 470.24222 496.15482 503.3 0.001993 470.27386 496.77536 518.6 0.001924 470.30408 497.58475 500.8 0.001993 470.33286 498.89508 522.8 0.001907 470.36020 500.57385 488.3 0.002047 470.38611 502.70776 497.0 0.002011 470.41052 505.17435 523.6 0.001907 470.43347 508.04153 540.5 0.001858 470.45496 511.40250 534.3 0.001874 470.47491 515.00720 554.2 0.001811 470.49335 518.84656 503.3 0.001993 470.51028 522.93842 561.2 0.001780 470.52570 527.19348 551.0 0.001811 470.53955 531.46429 550.9 0.001811 470.55182 535.62701 564.9 0.001765 470.56256 539.55304 567.3 0.001765 470.57169 543.12073 528.9 0.001890 470.57925 546.23450 548.5 0.001826 470.58517 548.82458 534.6 0.001874 470.58951 550.98309 529.2 0.001890 470.59222 552.53284 549.0 0.001826 470.59326 553.64758 569.7 0.001751 470.59268 554.42505 561.6 0.001780 470.59042 554.97498 515.0 0.001941 470.58649 555.40326 508.0 0.001975 470.58090 555.80908 536.5 0.001858 470.57358 556.27448 571.2 0.001751 470.56454 556.86615 541.1 0.001842 470.55383 557.63580 522.1 0.001924 470.54135 558.62903 540.3 0.001858 470.52713 559.89343 575.1 0.001736 470.51117 561.48639 549.3 0.001826 470.49344 563.45276 539.2 0.001858 470.47394 565.91797 570.3 0.001751 470.45264 568.93121 538.4 0.001858 470.42953 572.55420 593.1 0.001680 470.40463 576.82727 597.0 0.001680 470.37790 581.76257 625.8 0.001600 470.34937 587.34442 628.2 0.001587 470.31894 593.53015 628.8 0.001587 470.28668 600.25482 641.5 0.001562 470.25256 607.43280 637.8 0.001562 470.21658 614.95990 669.5 0.001491 470.17868 622.70966 635.1 0.001575 470.13892 630.53082 683.6 0.001468 470.09723 638.23004 689.2 0.001446 470.05362 645.63379 697.5 0.001435 470.00809 652.49207 708.9 0.001413 469.96060 658.59973 649.4 0.001538 469.91116 663.73102 650.4 0.001538 469.85977 667.71960 644.5 0.001550 469.80640 670.48254 665.7 0.001502 469.75104 672.03241 659.6 0.001514 469.69370 672.51831 651.0 0.001538 469.63434 672.19537 675.1 0.001479 469.57300 671.39624 690.5 0.001446 469.50961 670.49036 653.9 0.001526 469.44418 669.83997 599.9 0.001666 469.37671 669.76837 622.0 0.001613 469.30719 670.53235 713.0 0.001403 469.23560 672.04419 699.6 0.001424 469.16196 674.80591 689.3 0.001446 469.08621 678.77911 656.3 0.001526 469.00836 683.74298 666.2 0.001502 468.92841 689.50879 671.8 0.001491 468.84634 695.81116 681.6 0.001468 468.76218 702.32568 672.3 0.001491 468.67584 708.69531 716.7 0.001392 468.58737 714.52228 743.4 0.001342 468.49677 719.56067 742.3 0.001352 468.40399 723.51709 725.4 0.001382 468.30905 726.23090 753.3 0.001332 468.21191 727.64838 720.0 0.001392 468.11261 727.81201 713.8 0.001403 468.01108 726.82593 743.6 0.001342 467.90735 724.88031 744.5 0.001342 467.80142 722.13556 737.1 0.001352 467.69324 718.75183 690.9 0.001446 467.58286 714.85919 739.5 0.001352 467.47018 710.54852 708.5 0.001413 467.35529 705.87305 671.8 0.001491 467.23813 700.85663 709.5 0.001413 467.11871 695.51093 691.8 0.001446 466.99701 689.85193 687.6 0.001457 466.87302 683.91559 658.9 0.001514 466.74673 677.76532 664.5 0.001502 466.61813 671.49310 656.3 0.001526 466.48724 665.21191 707.9 0.001413 466.35400 659.04901 653.1 0.001526 466.21848 653.13708 loop_ _refln_index_h _refln_index_k _refln_index_l _refln_observed_status _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc _refln_d_spacing _gsas_i100_meas 1 2 -1 o 36.755 35.453 180.00 3.21497 100.00 1 3 0 o 0.002 0.002 180.00 3.08745 0.01 0 3 1 o 1.167 1.168 0.00 3.01054 2.80 1 2 1 o 29.945 30.862 180.00 3.00036 71.28 0 4 0 o 0.000 0.004 0.00 2.80356 0.00 2 0 0 o 0.000 0.039 0.00 2.73830 0.00 0 0 2 o 6.632 8.280 180.00 2.53938 5.74 2 2 0 o 4.694 4.981 180.00 2.46056 7.65 2 1 -1 o 8.324 8.935 0.00 2.45626 13.52 0 2 2 o 0.345 0.316 180.00 2.31321 0.50 1 4 -1 o 30.976 29.759 180.00 2.28117 43.77 2 1 1 o 23.226 23.397 180.00 2.26793 32.46 1 4 1 o 52.645 53.666 0.00 2.20057 69.55 1 1 2 o 0.400 0.441 0.00 2.17853 0.52 2 3 -1 o 9.505 8.784 0.00 2.08804 11.39 1 5 0 o 3.055 2.606 0.00 2.07554 3.62 0 5 1 o 13.257 11.828 180.00 2.05169 15.39 1 3 -2 o 2.382 1.864 180.00 2.01764 2.68 2 3 1 o 13.014 13.233 180.00 1.96862 14.01 2 0 -2 o 129.923 130.553 180.00 1.96203 69.49 2 4 0 o 76.591 77.258 0.00 1.95894 81.70 1 3 2 o 26.220 24.443 180.00 1.90930 26.70 0 4 2 o 99.048 98.036 180.00 1.88210 98.28 0 6 0 o 0.295 0.302 180.00 1.86904 0.14 2 2 -2 o 4.891 4.840 0.00 1.85193 4.71 3 1 0 o 5.517 4.680 0.00 1.80182 5.06 2 0 2 o 123.199 116.534 180.00 1.77581 55.10 2 2 2 o 14.033 14.029 0.00 1.69293 11.54 3 2 -1 o 55.897 55.826 0.00 1.69239 45.96 1 6 -1 o 20.426 20.624 0.00 1.68741 16.71 2 5 -1 o 4.173 4.061 0.00 1.67462 3.37 0 1 3 o 4.226 4.113 0.00 1.67396 3.41 1 6 1 o 13.267 13.569 0.00 1.65399 10.48 3 3 0 o 12.898 13.557 0.00 1.64037 10.05 1 5 -2 o 16.647 17.325 180.00 1.63764 12.93 2 5 1 o 2.565 2.887 0.00 1.61110 1.94 2 4 -2 o 2.388 2.608 0.00 1.60748 1.80 3 2 1 o 9.306 9.034 0.00 1.59689 6.92 1 2 -3 o 22.788 21.967 180.00 1.59604 16.94 1 5 2 o 10.862 10.982 180.00 1.57810 7.92 2 6 0 o 8.369 8.684 180.00 1.54372 5.88 3 1 -2 o 15.133 15.620 180.00 1.54287 10.63 0 3 3 o 0.000 0.000 180.00 1.54214 0.00 1 7 0 o 33.385 33.982 0.00 1.53760 23.31 0 7 1 o 0.054 0.062 180.00 1.52783 0.04 1 2 3 o 29.334 30.167 180.00 1.51520 19.99 0 6 2 o 9.312 9.299 0.00 1.50527 6.28 2 4 2 o 2.970 2.948 0.00 1.50018 1.99 3 4 -1 o 8.854 8.805 180.00 1.49980 5.93 2 1 -3 o 12.139 12.720 180.00 1.49532 8.09 3 3 -2 o 0.404 0.466 0.00 1.43784 0.25 3 4 1 o 0.494 0.552 0.00 1.43213 0.31 1 4 -3 o 42.131 46.882 0.00 1.43152 26.18 3 5 0 o 29.181 32.717 0.00 1.41583 17.82 3 1 2 o 0.329 0.457 180.00 1.40566 0.20 0 8 0 o 0.544 0.676 0.00 1.40178 0.16 2 3 -3 o 22.222 24.000 180.00 1.39912 13.32 1 4 3 o 18.364 17.528 180.00 1.37232 10.68 2 1 3 o 15.789 13.943 0.00 1.36943 9.15 4 0 0 o 43.530 38.061 0.00 1.36915 12.61 2 6 -2 o 0.007 0.008 0.00 1.35329 0.00 2 7 -1 o 1.978 2.013 0.00 1.35156 1.12 0 5 3 o 0.132 0.134 180.00 1.35121 0.07 4 1 -1 o 9.206 8.701 0.00 1.34656 5.20 1 7 -2 o 3.556 4.085 0.00 1.33190 1.98 4 2 0 o 44.601 48.164 180.00 1.33007 24.74 3 3 2 o 2.844 2.803 180.00 1.32486 1.57 1 8 -1 o 75.285 69.179 180.00 1.32008 41.29 2 7 1 o 8.132 6.882 0.00 1.31750 4.45 1 8 1 o 32.095 28.989 0.00 1.30389 17.29 1 7 2 o 0.402 0.338 0.00 1.29927 0.22 2 3 3 o 1.520 1.293 0.00 1.29439 0.81 2 6 2 o 0.038 0.045 0.00 1.28738 0.02 3 6 -1 o 0.002 0.003 0.00 1.28714 0.00 4 1 1 o 2.100 2.258 180.00 1.28158 1.10 3 5 -2 o 18.474 19.154 180.00 1.27939 9.68 4 3 -1 o 15.077 15.375 0.00 1.27503 7.86 3 2 -3 o 16.992 17.342 0.00 1.27382 8.85 0 0 4 o 160.622 152.948 0.00 1.26969 41.63 4 0 -2 o 28.832 28.662 0.00 1.25869 7.38 1 1 -4 o 13.750 13.498 0.00 1.25697 7.03 2 5 -3 o 19.083 18.506 0.00 1.25189 9.70 2 8 0 o 19.447 18.976 180.00 1.24779 9.84 3 6 1 o 97.026 90.327 180.00 1.24360 48.86 1 6 -3 o 28.032 25.816 0.00 1.24320 14.11 0 2 4 o 0.057 0.049 0.00 1.23834 0.03 4 4 0 o 13.696 13.716 180.00 1.23028 6.80 4 2 -2 o 21.392 21.140 0.00 1.22813 10.59 0 8 2 o 35.972 35.067 0.00 1.22722 17.79 4 3 1 o 1.698 1.611 180.00 1.21946 0.83 1 9 0 o 5.752 5.849 0.00 1.21498 2.81 0 9 1 o 13.522 13.866 0.00 1.21014 6.56 3 7 0 o 0.005 0.005 0.00 1.20412 0.00 1 6 3 o 21.770 22.954 0.00 1.20384 10.50 1 1 4 o 2.470 2.610 180.00 1.20363 1.19 2 0 -4 o 0.613 0.644 180.00 1.19838 0.15 1 3 -4 o 9.808 10.238 180.00 1.19820 4.70 3 5 2 o 5.325 5.487 180.00 1.19785 2.55 3 4 -3 o 0.430 0.421 0.00 1.18536 0.20 2 5 3 o 20.825 22.255 0.00 1.17518 9.74 2 2 -4 o 0.261 0.249 0.00 1.17191 0.12 0 7 3 o 12.547 13.799 180.00 1.16361 5.79 4 5 -1 o 14.048 14.486 180.00 1.16064 6.47 3 2 3 o 60.526 60.511 0.00 1.15833 27.80 4 0 2 o 23.841 23.722 0.00 1.15789 5.47 0 4 4 o 1.265 1.243 180.00 1.15661 0.58 1 3 4 o 8.741 8.809 0.00 1.15173 3.99 4 4 -2 o 32.288 31.311 180.00 1.14828 14.68 2 8 -2 o 5.208 4.637 180.00 1.14059 2.35 4 2 2 o 41.331 37.924 0.00 1.13397 18.51 0 10 0 o 10.144 10.369 180.00 1.12142 2.24 4 5 1 o 5.696 5.698 180.00 1.11825 2.51 3 7 -2 o 46.734 45.822 180.00 1.11680 20.58 2 9 -1 o 75.522 73.968 180.00 1.11672 33.26 4 1 -3 o 3.069 2.931 180.00 1.11503 1.35 2 0 4 o 3.654 3.601 180.00 1.11042 0.80 1 9 -2 o 0.086 0.088 0.00 1.10555 0.04 4 6 0 o 0.026 0.026 0.00 1.10451 0.01 2 4 -4 o 55.110 54.983 0.00 1.10193 23.93 1 5 -4 o 3.708 3.699 0.00 1.10179 1.61 2 8 2 o 7.490 7.558 180.00 1.10028 3.25 3 8 -1 o 2.293 2.320 180.00 1.10014 0.99 2 7 -3 o 0.226 0.240 180.00 1.09836 0.10 2 9 1 o 1.484 1.617 180.00 1.09728 0.64 3 4 3 o 3.966 4.031 180.00 1.09062 1.70 5 1 0 o 3.705 3.720 0.00 1.09013 1.59 3 1 -4 o 19.596 19.392 0.00 1.08959 8.41 2 2 4 o 5.281 5.179 180.00 1.08927 2.27 1 9 2 o 1.125 1.017 180.00 1.08667 0.48 1 10 -1 o 0.101 0.095 180.00 1.07826 0.04 4 3 -3 o 9.991 10.677 180.00 1.07339 4.23 5 2 -1 o 3.486 3.709 180.00 1.07319 1.47 3 8 1 o 16.706 17.557 0.00 1.07258 7.06 1 8 -3 o 20.934 21.893 0.00 1.07232 8.85 3 6 -3 o 44.369 45.920 180.00 1.07166 18.74 4 4 2 o 34.949 35.754 180.00 1.07021 14.74 1 10 1 o 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