#------------------------------------------------------------------------------
#$Date: 2025-07-01 13:50:04 +0300 (Tue, 01 Jul 2025) $
#$Revision: 1133 $
#$URL: svn://crystallography.net/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-Múzquiz, 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
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