#------------------------------------------------------------------------------ #$Date: 2025-07-01 16:07:54 +0300 (Tue, 01 Jul 2025) $ #$Revision: 1368 $ #$URL: svn://localhost/testcod/cif/4/30/00/4300061.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_4300061 loop_ _publ_author_name 'Dong, Yongkwan' 'Wang, Hsin' 'Nolas, George S.' _publ_section_title ; Synthesis, Crystal Structure, and High Temperature Transport Properties ofp-Type Cu2Zn1--xFexSnSe4 ; _journal_issue 24 _journal_name_full 'Inorganic Chemistry' _journal_page_first 14364 _journal_page_last 14367 _journal_paper_doi 10.1021/ic402455x _journal_volume 52 _journal_year 2013 _chemical_formula_sum 'Cu2 Fe0.4 Se4 Sn Zn0.6' _chemical_formula_weight 623.19 _space_group_IT_number 121 _space_group_name_Hall 'I -4 2' _space_group_name_H-M_alt 'I -4 2 m' _symmetry_cell_setting tetragonal _symmetry_space_group_name_H-M 'I -4 2 m' _audit_creation_date 2013-08-08T14:54 _audit_creation_method 'from EXP file using GSAS2CIF' _audit_update_record ' 2013-08-08T14:54 Initial CIF as created by GSAS2CIF' _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_formula_units_Z 2 _cell_length_a 5.6937(20) _cell_length_b 5.6937 _cell_length_c 11.379(8) _cell_volume 368.9(3) _computing_structure_refinement GSAS _diffrn_radiation_polarisn_ratio 0.87 _diffrn_radiation_probe x-ray _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 2013-08-08T14:54|YD086-2_I|YD086-2.cif|Bruker_D8 _pd_calc_method 'Rietveld Refinement' _pd_instr_location ' ?' _pd_meas_2theta_range_inc 0.0499 _pd_meas_2theta_range_max 80.023 _pd_meas_2theta_range_min 20.0 _pd_meas_number_of_points 1205 _pd_phase_name 'from E:/USF/USF data/PXRD/YD086/refinement/86-2/YD86-2.cel' _pd_proc_2theta_range_inc 0.0499 _pd_proc_2theta_range_max 80.023 _pd_proc_2theta_range_min 20.0 _pd_proc_info_datetime 2013-08-08T14:54:02 _pd_proc_info_excluded_regions ' ?' _pd_proc_ls_background_function ; GSAS Background function number 2 with 3 terms. Cosine Fourier series 1: 394.375 2: -28.6940 3: -17.0218 ; _pd_proc_ls_peak_cutoff 0.00100 _pd_proc_ls_profile_function ; CW Profile function number 3 with 19 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. #1(GU) = 0.000 #2(GV) = -7.982 #3(GW) = 1.036 #4(GP) = 0.000 #5(LX) = 4.927 #6(LY) = 35.433 #7(S/L) = 0.0005 #8(H/L) = 0.0005 #9(trns) = -1.23 #10(shft)= -4.4310 #11(stec)= -3.27 #12(ptec)= 2.06 #13(sfec)= 0.00 #14(L11) = 0.000 #15(L22) = 0.000 #16(L33) = 0.000 #17(L12) = 0.000 #18(L13) = 0.000 #19(L23) = 0.000 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 0.0594 _pd_proc_ls_prof_wR_expected 0.0474 _pd_proc_ls_prof_wR_factor 0.0799 _pd_proc_number_of_points 1205 _pd_spec_mounting ' ?' _refine_ls_goodness_of_fit_all 1.69 _refine_ls_matrix_type full _refine_ls_number_parameters 6 _refine_ls_number_restraints 0 _refine_ls_R_Fsqd_factor 0.26828 _refine_ls_shift/su_max 1.36 _refine_ls_shift/su_mean 0.56 _reflns_d_resolution_high 1.214 _reflns_d_resolution_low 4.025 _reflns_limit_h_max 5 _reflns_limit_h_min 0 _reflns_limit_k_max 3 _reflns_limit_k_min 0 _reflns_limit_l_max 10 _reflns_limit_l_min 0 _reflns_number_total 92 _cod_data_source_file ic402455x_si_003.cif _cod_data_source_block YD086-2_I_publ _cod_original_cell_volume 368.89(9) _cod_original_formula_sum 'Cu2 Fe0.40 Se4 Sn Zn0.60' _cod_database_code 4300061 _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 +y,-x,-z 3 -x,-y,+z 4 -y,+x,-z 5 -x,+y,-z 6 +y,+x,+z 7 +x,-y,-z 8 -y,-x,+z 101 +x+1/2,+y+1/2,+z+1/2 102 +y+1/2,-x+1/2,-z+1/2 103 -x+1/2,-y+1/2,+z+1/2 104 -y+1/2,+x+1/2,-z+1/2 105 -x+1/2,+y+1/2,-z+1/2 106 +y+1/2,+x+1/2,+z+1/2 107 +x+1/2,-y+1/2,-z+1/2 108 -y+1/2,-x+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 Cu Cu 0.0 0.5 0.25 1.0 Uiso 0.00413 4 Sn Sn 0.0 0.0 0.5 1.0 Uiso 0.00343 2 Se Se 0.24141 0.24141 0.13171 1.0 Uiso 0.00332 8 Zn Zn 0.0 0.0 0.0 0.6 Uiso 0.00294 2 Fe Fe 0.0 0.0 0.0 0.4 Uiso 0.00294 2 loop_ _atom_type_symbol _atom_type_number_in_cell _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_Cromer_Mann_a1 _atom_type_scat_Cromer_Mann_a2 _atom_type_scat_Cromer_Mann_a3 _atom_type_scat_Cromer_Mann_a4 _atom_type_scat_Cromer_Mann_b1 _atom_type_scat_Cromer_Mann_b2 _atom_type_scat_Cromer_Mann_b3 _atom_type_scat_Cromer_Mann_b4 _atom_type_scat_Cromer_Mann_c _atom_type_scat_source Cu 4.0 0.000 0.000 13.3380 3.58280 7.16760 0.24700 5.61580 11.3966 1.67350 64.8126 1.19100 International_Tables_Vol_C Fe 0.8 0.000 0.000 11.7695 4.76110 7.35730 0.30720 3.52220 15.3535 2.30450 76.8805 1.03690 International_Tables_Vol_C Zn 1.2 0.000 0.000 14.0743 3.26550 7.03180 0.23330 5.16520 10.3163 2.41000 58.7097 1.30410 International_Tables_Vol_C Sn 2.0 0.000 0.000 19.1889 5.83030 19.1005 0.50310 4.45850 26.8909 2.46630 83.9571 4.78210 International_Tables_Vol_C Se 8.0 0.000 0.000 17.0006 2.40980 5.81960 0.27260 3.97310 15.2372 4.35430 43.8163 2.84090 International_Tables_Vol_C loop_ _diffrn_radiation_wavelength _diffrn_radiation_wavelength_wt _diffrn_radiation_type _diffrn_radiation_wavelength_id 1.540600 1.000 K\a~1~ 1 1.544400 0.500 K\a~2~ 2 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 Se Cu Se 112.49(4) 1_555 . 3_565 N Se Cu Se 107.983(21) 1_555 . 102_455 N Se Cu Se 107.983(21) 1_555 . 104_555 N Se Cu Se 107.983(21) 3_565 . 102_455 N Se Cu Se 107.983(21) 3_565 . 104_555 N Se Cu Se 112.49(4) 102_455 . 104_555 N Se Sn Se 109.954(22) 101_445 . 102_455 N Se Sn Se 108.51(4) 101_445 . 103_555 N Se Sn Se 109.954(22) 101_445 . 104_545 N Se Sn Se 109.954(22) 102_455 . 103_555 N Se Sn Se 108.51(4) 102_455 . 104_545 N Se Sn Se 109.954(22) 103_555 . 104_545 N Cu Se Cu 112.39(4) 1_555 . 6_555 N Cu Se Sn 107.542(22) 1_555 . 101_554 N Cu Se Zn 111.216(21) 1_555 . 1_555 N Cu Se Fe 111.216(21) 1_555 . 1_555 N Cu Se Sn 107.542(22) 6_555 . 101_554 N Cu Se Zn 111.216(21) 6_555 . 1_555 N Cu Se Fe 111.216(21) 6_555 . 1_555 N Sn Se Zn 106.62(4) 101_554 . 1_555 N Sn Se Fe 106.62(4) 101_554 . 1_555 N Zn Se Fe 0.0 1_555 . 1_555 N Se Zn Se 111.890(23) 1_555 . 2_555 N Se Zn Se 104.74(4) 1_555 . 3_555 N Se Zn Se 111.890(23) 1_555 . 4_555 N Se Zn Se 111.890(23) 2_555 . 3_555 N Se Zn Se 104.74(4) 2_555 . 4_555 N Se Zn Se 111.890(23) 3_555 . 4_555 N Se Fe Se 111.890(23) 1_555 . 2_555 N Se Fe Se 104.74(4) 1_555 . 3_555 N Se Fe Se 111.890(23) 1_555 . 4_555 N Se Fe Se 111.890(23) 2_555 . 3_555 N Se Fe Se 104.74(4) 2_555 . 4_555 N Se Fe Se 111.890(23) 3_555 . 4_555 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 Cu Se 2.4226(8) . 1_555 N Cu Se 2.4226(8) . 3_565 N Cu Se 2.4226(8) . 102_455 N Cu Se 2.4226(8) . 104_555 N Sn Se 2.5655(9) . 101_445 N Sn Se 2.5655(9) . 102_455 N Sn Se 2.5655(9) . 103_555 N Sn Se 2.5655(9) . 104_545 N Se Cu 2.4226(8) . 1_555 N Se Cu 2.4226(8) . 6_555 N Se Sn 2.5655(9) . 101_554 N Se Zn 2.4545(9) . 1_555 N Se Fe 2.4545(9) . 1_555 N Zn Se 2.4545(9) . 1_555 N Zn Se 2.4545(9) . 2_555 N Zn Se 2.4545(9) . 3_555 N Zn Se 2.4545(9) . 4_555 N Fe Se 2.4545(9) . 1_555 N Fe Se 2.4545(9) . 2_555 N Fe Se 2.4545(9) . 3_555 N Fe Se 2.4545(9) . 4_555 N loop_ _pd_meas_counts_total _pd_proc_ls_weight _pd_proc_intensity_bkg_calc _pd_calc_intensity_total 415.0 0.002410 354.37201 354.28766 458.0 0.002183 354.39963 354.31583 530.0 0.001887 354.42731 354.34402 473.0 0.002114 354.45502 354.43167 424.0 0.002358 354.48279 354.49252 426.0 0.002347 354.51065 354.52585 472.0 0.002119 354.53857 354.55960 443.0 0.002257 354.56653 354.59387 438.0 0.002283 354.59457 354.62878 462.0 0.002165 354.62265 354.66422 468.0 0.002137 354.65079 354.70041 410.0 0.002439 354.67899 354.73734 446.0 0.002242 354.70728 354.77518 477.0 0.002096 354.73560 354.81396 402.0 0.002488 354.76395 354.85388 409.0 0.002445 354.79239 354.89502 413.0 0.002421 354.82089 354.93762 416.0 0.002404 354.84946 354.98190 447.0 0.002237 354.87805 355.02811 441.0 0.002268 354.90677 355.07657 386.0 0.002591 354.93549 355.12762 392.0 0.002551 354.96429 355.18179 368.0 0.002717 354.99313 355.23969 397.0 0.002519 355.02203 355.30203 375.0 0.002667 355.05099 355.36981 377.0 0.002653 355.08002 355.44421 385.0 0.002597 355.10913 355.52689 413.0 0.002421 355.13828 355.61993 389.0 0.002571 355.16748 355.72620 390.0 0.002564 355.19675 355.84964 382.0 0.002618 355.22604 355.99567 362.0 0.002762 355.25543 356.17221 412.0 0.002427 355.28485 356.39090 370.0 0.002703 355.31433 356.66937 417.0 0.002398 355.34387 357.03577 417.0 0.002398 355.37350 357.53668 373.0 0.002681 355.40317 358.25378 429.0 0.002331 355.43289 359.34140 405.0 0.002469 355.46265 361.11649 402.0 0.002488 355.49252 364.31329 415.0 0.002410 355.52240 370.92688 433.0 0.002309 355.55237 386.95941 424.0 0.002358 355.58237 422.50574 459.0 0.002179 355.61243 434.92981 433.0 0.002309 355.64255 408.52036 363.0 0.002755 355.67273 380.85522 402.0 0.002488 355.70297 368.61655 388.0 0.002577 355.73328 363.38657 374.0 0.002674 355.76361 360.78928 398.0 0.002513 355.79401 359.33112 387.0 0.002584 355.82449 358.44043 353.0 0.002833 355.85498 357.86273 384.0 0.002604 355.88556 357.47122 399.0 0.002506 355.91623 357.19724 394.0 0.002538 355.94690 357.00104 394.0 0.002538 355.97763 356.85837 388.0 0.002577 356.00842 356.75369 351.0 0.002849 356.03931 356.67673 374.0 0.002674 356.07022 356.62051 355.0 0.002817 356.10117 356.58005 353.0 0.002833 356.13220 356.55182 364.0 0.002747 356.16327 356.53323 327.0 0.003058 356.19443 356.52237 357.0 0.002801 356.22562 356.51770 331.0 0.003021 356.25687 356.51813 355.0 0.002817 356.28815 356.52280 376.0 0.002660 356.31952 356.53094 387.0 0.002584 356.35092 356.54202 370.0 0.002703 356.38242 356.55560 328.0 0.003049 356.41394 356.57132 352.0 0.002841 356.44553 356.58887 344.0 0.002907 356.47714 356.60800 363.0 0.002755 356.50885 356.62851 325.0 0.003077 356.54059 356.65024 353.0 0.002833 356.57239 356.67300 324.0 0.003086 356.60425 356.69675 400.0 0.002500 356.63617 356.72128 374.0 0.002674 356.66812 356.74655 352.0 0.002841 356.70013 356.77252 338.0 0.002959 356.73221 356.79907 319.0 0.003135 356.76434 356.82617 354.0 0.002825 356.79651 356.85379 361.0 0.002770 356.82874 356.88184 360.0 0.002778 356.86105 356.85397 359.0 0.002786 356.89340 356.85724 346.0 0.002890 356.92578 356.89026 326.0 0.003067 356.95822 356.92331 361.0 0.002770 356.99075 356.95642 369.0 0.002710 357.02332 356.98959 359.0 0.002786 357.05594 357.02280 377.0 0.002653 357.08856 359.89090 343.0 0.002915 357.12131 360.03290 349.0 0.002865 357.15408 361.62799 353.0 0.002833 357.18692 361.83948 382.0 0.002618 357.21979 362.06183 377.0 0.002653 357.25272 362.29587 366.0 0.002732 357.28574 362.54263 372.0 0.002688 357.31876 362.80319 352.0 0.002841 357.35187 363.07870 343.0 0.002915 357.38498 363.37048 303.0 0.003300 357.41821 363.68015 343.0 0.002915 357.45148 364.00928 358.0 0.002793 357.48477 364.35968 358.0 0.002793 357.51810 364.73355 321.0 0.003115 357.55154 365.13324 368.0 0.002717 357.58502 365.56137 345.0 0.002899 357.61853 366.02103 343.0 0.002915 357.65207 366.51553 323.0 0.003096 357.68570 367.04892 353.0 0.002833 357.71939 367.62561 376.0 0.002660 357.75308 368.25079 367.0 0.002725 357.78690 368.93036 353.0 0.002833 357.82071 369.73801 352.0 0.002841 357.85458 370.55057 346.0 0.002890 357.88855 371.47595 332.0 0.003012 357.92249 372.45834 324.0 0.003086 357.95654 373.54343 332.0 0.003012 357.99063 374.74670 349.0 0.002865 358.02478 376.08649 364.0 0.002747 358.05896 377.58505 348.0 0.002874 358.09323 379.26923 403.0 0.002481 358.12750 381.17133 370.0 0.002703 358.16187 383.33203 397.0 0.002519 358.19626 385.80115 420.0 0.002381 358.23068 388.64139 445.0 0.002247 358.26520 391.93210 441.0 0.002268 358.29971 395.77493 453.0 0.002208 358.33435 400.30261 427.0 0.002342 358.36899 405.68927 436.0 0.002294 358.40369 412.16833 466.0 0.002146 358.43845 420.05869 529.0 0.001890 358.47327 429.80176 566.0 0.001767 358.50809 442.03110 555.0 0.001802 358.54300 457.66956 536.0 0.001866 358.57797 478.11099 580.0 0.001724 358.61295 505.53522 614.0 0.001629 358.64801 543.50830 775.0 0.001290 358.68314 598.15942 849.0 0.001178 358.71826 680.72028 965.0 0.001036 358.75348 813.49982 1031.0 0.000970 358.78873 1045.82178 1519.0 0.000658 358.82404 1499.94702 2169.0 0.000461 358.85938 2474.45361 3826.0 0.0002614 358.89481 4310.44385 5791.0 0.0001727 358.93024 5279.25391 4181.0 0.0002392 358.96573 4309.12061 2421.0 0.000413 359.00131 2708.81177 1243.0 0.000805 359.03690 1623.42297 1131.0 0.000884 359.07254 1103.69788 1002.0 0.000998 359.10822 843.64233 825.0 0.001212 359.14398 698.62854 645.0 0.001550 359.17978 610.00555 524.0 0.001908 359.21564 552.10480 481.0 0.002079 359.25153 512.32300 438.0 0.002283 359.28745 483.90686 420.0 0.002381 359.32346 462.98746 396.0 0.002525 359.35950 447.23807 368.0 0.002717 359.39557 435.20602 405.0 0.002469 359.43173 425.97107 426.0 0.002347 359.46786 418.97113 396.0 0.002525 359.50412 413.92117 409.0 0.002445 359.54041 410.83261 375.0 0.002667 359.57675 410.17062 391.0 0.002558 359.61310 413.38159 421.0 0.002375 359.64954 424.28177 428.0 0.002336 359.68600 450.68292 465.0 0.002151 359.72253 487.70227 464.0 0.002155 359.75909 485.69254 404.0 0.002475 359.79568 456.65768 411.0 0.002433 359.83234 422.56885 354.0 0.002825 359.86908 402.24860 376.0 0.002660 359.90582 391.68436 386.0 0.002591 359.94263 385.64825 382.0 0.002618 359.97946 381.77753 387.0 0.002584 360.01636 379.06277 372.0 0.002688 360.05331 377.03302 347.0 0.002882 360.09033 375.44205 340.0 0.002941 360.12735 374.15195 346.0 0.002890 360.16440 373.07693 374.0 0.002674 360.20157 372.16364 375.0 0.002667 360.23874 371.37531 352.0 0.002841 360.27594 370.68661 380.0 0.002632 360.31323 370.07901 346.0 0.002890 360.35052 369.53885 386.0 0.002591 360.38791 369.05530 361.0 0.002770 360.42529 368.62027 328.0 0.003049 360.46277 368.22693 340.0 0.002941 360.50027 367.86996 344.0 0.002907 360.53781 367.54510 401.0 0.002494 360.57541 367.24841 353.0 0.002833 360.61304 366.97690 352.0 0.002841 360.65073 366.72778 412.0 0.002427 360.68845 366.49893 381.0 0.002625 360.72620 366.28839 366.0 0.002732 360.76404 366.09421 338.0 0.002959 360.80188 365.91516 333.0 0.003003 360.83981 365.74976 352.0 0.002841 360.87778 362.73746 354.0 0.002825 360.91577 361.25558 336.0 0.002976 360.95380 361.27628 356.0 0.002809 360.99188 361.29861 400.0 0.002500 361.03003 361.32251 327.0 0.003058 361.06818 361.34775 362.0 0.002762 361.10641 361.37418 327.0 0.003058 361.14468 361.40176 354.0 0.002825 361.18298 361.43036 333.0 0.003003 361.22134 361.45987 357.0 0.002801 361.25974 361.49020 351.0 0.002849 361.29819 361.52142 340.0 0.002941 361.33667 361.55338 331.0 0.003021 361.37521 361.58603 360.0 0.002778 361.41379 361.61935 351.0 0.002849 361.45239 361.65344 329.0 0.003040 361.49106 361.68817 338.0 0.002959 361.52975 361.72366 362.0 0.002762 361.56848 361.75998 344.0 0.002907 361.60730 361.79706 358.0 0.002793 361.64612 361.83517 346.0 0.002890 361.68503 361.87442 357.0 0.002801 361.72394 361.84464 349.0 0.002865 361.76291 361.85410 383.0 0.002611 361.80191 361.90317 350.0 0.002857 361.84094 361.95581 326.0 0.003067 361.88004 362.01398 351.0 0.002849 361.91916 362.08121 349.0 0.002865 361.95834 362.16461 316.0 0.003165 361.99756 362.27914 348.0 0.002874 362.03683 362.46002 388.0 0.002577 362.07614 362.78586 366.0 0.002732 362.11548 363.34079 361.0 0.002770 362.15488 363.73050 325.0 0.003077 362.19431 363.56558 322.0 0.003106 362.23376 363.20215 373.0 0.002681 362.27328 362.84818 340.0 0.002941 362.31287 362.67258 343.0 0.002915 362.35242 362.60370 338.0 0.002959 362.39209 362.58435 344.0 0.002907 362.43176 362.58893 342.0 0.002924 362.47147 362.60617 357.0 0.002801 362.51126 362.63080 362.0 0.002762 362.55103 362.66000 340.0 0.002941 362.59091 362.69226 339.0 0.002950 362.63080 362.72650 357.0 0.002801 362.67068 362.76224 329.0 0.003040 362.71069 362.79901 405.0 0.002469 362.75067 362.83658 317.0 0.003155 362.79074 362.92358 329.0 0.003040 362.83084 362.96387 357.0 0.002801 362.87094 363.02917 345.0 0.002899 362.91113 363.07114 387.0 0.002584 362.95135 363.11362 373.0 0.002681 362.99158 363.15634 362.0 0.002762 363.03189 363.19949 390.0 0.002564 363.07224 363.24292 364.0 0.002747 363.11258 363.28668 380.0 0.002632 363.15298 363.33081 363.0 0.002755 363.19345 363.37527 362.0 0.002762 363.23392 363.42004 356.0 0.002809 363.27448 363.46518 338.0 0.002959 363.31503 363.51068 360.0 0.002778 363.35565 363.55655 346.0 0.002890 363.39627 363.60278 377.0 0.002653 363.43698 363.64944 325.0 0.003077 363.47769 363.69662 331.0 0.003021 363.51846 363.81561 347.0 0.002882 363.55927 363.86627 377.0 0.002653 363.60010 363.95328 331.0 0.003021 363.64099 364.00653 360.0 0.002778 363.68192 364.06064 336.0 0.002976 363.72287 364.11569 353.0 0.002833 363.76389 364.17188 362.0 0.002762 363.80490 364.22925 342.0 0.002924 363.84598 364.28778 341.0 0.002933 363.88708 364.34775 329.0 0.003040 363.92825 364.40933 335.0 0.002985 363.96942 364.47263 314.0 0.003185 364.01065 364.53775 328.0 0.003049 364.05191 364.60519 341.0 0.002933 364.09320 364.67502 366.0 0.002732 364.13455 364.74762 343.0 0.002915 364.17593 364.82346 355.0 0.002817 364.21735 364.90280 345.0 0.002899 364.25879 364.98593 348.0 0.002874 364.30029 365.07410 363.0 0.002755 364.34183 365.16742 364.0 0.002747 364.38336 365.26761 326.0 0.003067 364.42499 365.37589 339.0 0.002950 364.46658 365.49341 333.0 0.003003 364.50827 365.62198 342.0 0.002924 364.54999 365.76392 379.0 0.002639 364.59171 365.92249 328.0 0.003049 364.63351 366.10162 359.0 0.002786 364.67532 366.30661 318.0 0.003145 364.71719 366.54477 340.0 0.002941 364.75909 366.82620 373.0 0.002681 364.80099 367.16516 326.0 0.003067 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0.002660 386.09341 388.11816 421.0 0.002375 386.14133 388.13367 381.0 0.002625 386.18921 388.15149 376.0 0.002660 386.23709 388.17157 394.0 0.002538 386.28497 388.19412 409.0 0.002445 386.33282 388.21927 390.0 0.002564 386.38071 387.18845 399.0 0.002506 386.42856 387.24332 394.0 0.002538 386.47638 387.30081 379.0 0.002639 386.52423 387.36166 405.0 0.002469 386.57202 387.42661 391.0 0.002558 386.61984 387.49692 398.0 0.002513 386.66763 387.57443 366.0 0.002732 386.71542 387.66196 401.0 0.002494 386.76318 387.76404 383.0 0.002611 386.81094 387.88824 403.0 0.002481 386.85870 388.04691 397.0 0.002519 386.90643 387.99692 399.0 0.002506 386.95416 388.28812 376.0 0.002660 387.00189 388.64276 405.0 0.002469 387.04956 388.93893 414.0 0.002415 387.09726 389.05298 394.0 0.002538 387.14493 389.07706 375.0 0.002667 387.19260 389.12085 387.0 0.002584 387.24026 389.15259 403.0 0.002481 387.28787 389.20120 346.0 0.002890 387.33554 389.35782 392.0 0.002551 387.38315 389.68176 382.0 0.002618 387.43076 390.23364 393.0 0.002545 387.47833 391.11533 426.0 0.002347 387.52594 392.46872 384.0 0.002604 387.57349 394.34317 398.0 0.002513 387.62103 396.22726 439.0 0.002278 387.66858 396.92291 400.0 0.002500 387.71609 396.35809 412.0 0.002427 387.76361 395.55054 407.0 0.002457 387.81110 394.60089 370.0 0.002703 387.85858 393.26868 330.0 0.003030 387.90607 391.96143 404.0 0.002475 387.95352 391.00916 402.0 0.002488 388.00098 390.39026 390.0 0.002564 388.04840 390.00070 375.0 0.002667 388.09579 389.75769 408.0 0.002451 388.14322 389.60806 399.0 0.002506 388.19061 389.51968 409.0 0.002445 388.23798 389.47342 384.0 0.002604 388.28534 389.45758 395.0 0.002532 388.33270 389.46490 402.0 0.002488 388.38004 389.49097 408.0 0.002451 388.42734 389.53290 411.0 0.002433 388.47464 389.58932 393.0 0.002545 388.52191 389.65958 387.0 0.002584 388.56921 389.74408 381.0 0.002625 388.61646 389.84399 351.0 0.002849 388.66370 389.96133 418.0 0.002392 388.71094 390.09930 407.0 0.002457 388.75815 390.26242 376.0 0.002660 388.80536 390.45740 388.0 0.002577 388.85251 390.69403 394.0 0.002538 388.89969 390.98639 375.0 0.002667 388.94684 391.35532 389.0 0.002571 388.99399 391.83371 360.0 0.002778 389.04111 392.47372 346.0 0.002890 389.08820 393.36206 388.0 0.002577 389.13528 394.64285 388.0 0.002577 389.18234 396.63022 396.0 0.002525 389.22940 399.50226 423.0 0.002364 389.27643 403.66092 433.0 0.002309 389.32349 408.75433 423.0 0.002364 389.37045 412.52039 408.0 0.002451 389.41745 412.34955 375.0 0.002667 389.46442 410.27542 415.0 0.002410 389.51138 408.21622 428.0 0.002336 389.55832 405.47891 389.0 0.002571 389.60526 401.88562 406.0 0.002463 389.65213 398.75052 398.0 0.002513 389.69904 396.52615 369.0 0.002710 389.74591 395.04727 385.0 0.002597 389.79276 394.06879 400.0 0.002500 389.83957 393.41083 391.0 0.002558 389.88641 392.95859 404.0 0.002475 389.93320 392.64188 401.0 0.002494 389.97998 392.41754 367.0 0.002725 390.02676 392.25830 391.0 0.002558 390.07349 392.14639 444.0 0.002252 390.12024 392.06985 399.0 0.002506 390.16696 392.02057 369.0 0.002710 390.21362 391.99231 392.0 0.002551 390.26031 391.98105 395.0 0.002532 390.30698 391.98337 396.0 0.002525 390.35361 391.99713 397.0 0.002519 390.40021 392.02048 369.0 0.002710 390.44684 392.05200 390.0 0.002564 390.49341 392.09079 398.0 0.002513 390.53998 392.13608 394.0 0.002538 390.58652 392.18719 403.0 0.002481 390.63303 392.24374 387.0 0.002584 390.67953 392.30557 376.0 0.002660 390.72604 392.37256 387.0 0.002584 390.77249 392.44434 415.0 0.002410 390.81894 392.52121 405.0 0.002469 390.86539 392.60324 383.0 0.002611 390.91177 392.69064 409.0 0.002445 390.95816 392.79849 367.0 0.002725 391.00458 392.89795 377.0 0.002653 391.05090 393.00455 429.0 0.002331 391.09723 393.12552 354.0 0.002825 391.14355 393.24756 389.0 0.002571 391.18982 393.37878 383.0 0.002611 391.23611 393.52179 401.0 0.002494 391.28238 393.67691 363.0 0.002755 391.32858 393.84680 377.0 0.002653 391.37482 394.03452 415.0 0.002410 391.42099 394.25244 429.0 0.002331 391.46716 394.48810 425.0 0.002353 391.51331 394.75662 415.0 0.002410 391.55945 395.07458 399.0 0.002506 391.60556 395.44040 393.0 0.002545 391.65161 395.87665 409.0 0.002445 391.69772 396.40961 398.0 0.002513 391.74374 397.07590 425.0 0.002353 391.78976 397.93829 419.0 0.002387 391.83575 399.09070 420.0 0.002381 391.88174 400.68683 360.0 0.002778 391.92770 402.97891 406.0 0.002463 391.97363 406.33209 425.0 0.002353 392.01956 411.17139 438.0 0.002283 392.06543 417.48672 416.0 0.002404 392.11130 423.46640 461.0 0.002169 392.15717 425.58087 418.0 0.002392 392.20300 423.73813 432.0 0.002315 392.24881 421.23035 414.0 0.002415 392.29462 418.66830 447.0 0.002237 392.34033 414.85614 428.0 0.002336 392.38608 410.54596 385.0 0.002597 392.43179 407.07339 381.0 0.002625 392.47751 404.72122 416.0 0.002404 392.52319 403.25015 409.0 0.002445 392.56882 402.38867 379.0 0.002639 392.61444 401.94305 387.0 0.002584 392.66006 401.79156 393.0 0.002545 392.70563 401.86218 379.0 0.002639 392.75122 402.11456 418.0 0.002392 392.79672 402.52924 431.0 0.002320 392.84222 403.10049 383.0 0.002611 392.88773 403.83426 402.0 0.002488 392.93320 404.75589 405.0 0.002469 392.97864 405.87091 446.0 0.002242 393.02405 407.22696 408.0 0.002451 393.06946 408.87753 465.0 0.002151 393.11484 410.90320 429.0 0.002331 393.16019 413.39285 437.0 0.002288 393.20547 416.49817 439.0 0.002278 393.25079 420.42654 446.0 0.002242 393.29605 425.48596 485.0 0.002062 393.34131 432.13934 489.0 0.002045 393.38654 441.11746 488.0 0.002049 393.43173 453.59036 516.0 0.001938 393.47693 471.43207 498.0 0.002008 393.52206 497.54672 548.0 0.001825 393.56720 535.99457 618.0 0.001618 393.61227 590.64917 628.0 0.001592 393.65738 658.37341 759.0 0.001318 393.70242 715.45776 807.0 0.001239 393.74744 728.35187 792.0 0.001263 393.79245 703.93420 650.0 0.001538 393.83743 674.68018 648.0 0.001543 393.88239 643.96863 629.0 0.001590 393.92731 600.14380 573.0 0.001745 393.97223 550.89197 454.0 0.002203 394.01709 509.77884 478.0 0.002092 394.06195 480.11731 397.0 0.002519 394.10675 459.61209 420.0 0.002381 394.15158 445.39188 444.0 0.002252 394.19635 435.32343 425.0 0.002353 394.24109 427.99908 432.0 0.002315 394.28583 422.52393 405.0 0.002469 394.33051 418.33078 374.0 0.002674 394.37521 415.05341 408.0 0.002451 394.41983 412.44806 393.0 0.002545 394.46448 410.34729 432.0 0.002315 394.50903 408.63330 412.0 0.002427 394.55362 407.22110 398.0 0.002513 394.59814 406.04755 393.0 0.002545 394.64267 405.06607 355.0 0.002817 394.68716 404.24124 390.0 0.002564 394.73160 403.54578 420.0 0.002381 394.77606 402.95898 359.0 0.002786 394.82047 402.46420 391.0 0.002558 394.86484 402.04919 390.0 0.002564 394.90918 401.70416 403.0 0.002481 394.95352 401.42197 423.0 0.002364 394.99780 401.43402 368.0 0.002717 395.04208 401.26819 379.0 0.002639 395.08633 401.27994 396.0 0.002525 395.13055 401.22366 430.0 0.002326 395.17474 401.34225 377.0 0.002653 395.21887 401.40799 455.0 0.002198 395.26303 401.54666 389.0 0.002571 395.30713 401.83670 452.0 0.002212 395.35120 402.17734 399.0 0.002506 395.39523 402.66821 402.0 0.002488 395.43927 403.36908 436.0 0.002294 395.48325 404.37454 379.0 0.002639 395.52719 405.84503 424.0 0.002358 395.57114 407.98642 405.0 0.002469 395.61505 411.06985 403.0 0.002481 395.65894 415.28156 407.0 0.002457 395.70279 420.09775 397.0 0.002519 395.74661 423.53268 425.0 0.002353 395.79041 423.81424 409.0 0.002445 395.83417 422.25214 414.0 0.002415 395.87787 420.80948 391.0 0.002558 395.92160 419.34250 415.0 0.002410 395.96527 417.20053 444.0 0.002252 396.00891 415.13217 395.0 0.002532 396.05255 414.18106 414.0 0.002415 396.09616 414.79443 395.0 0.002532 396.13971 417.06357 383.0 0.002611 396.18323 420.62573 405.0 0.002469 396.22672 423.93216 402.0 0.002488 396.27017 424.69421 459.0 0.002179 396.31363 422.90610 458.0 0.002183 396.35706 420.64685 425.0 0.002353 396.40042 418.56485 404.0 0.002475 396.44379 415.80087 424.0 0.002358 396.48709 412.41287 459.0 0.002179 396.53040 409.30048 399.0 0.002506 396.57367 406.92926 398.0 0.002513 396.61688 405.24246 382.0 0.002618 396.66010 404.07791 372.0 0.002688 396.70328 403.26624 395.0 0.002532 396.74643 402.69534 382.0 0.002618 396.78949 402.29129 390.0 0.002564 396.83261 402.00714 396.0 0.002525 396.87564 401.81192 421.0 0.002375 396.91867 401.68619 397.0 0.002519 396.96167 401.61703 388.0 0.002577 397.00461 401.59616 402.0 0.002488 397.04752 401.61920 378.0 0.002646 397.09042 401.68430 403.0 0.002481 397.13330 401.79236 391.0 0.002558 397.17612 401.94687 388.0 0.002577 397.21893 402.15475 441.0 0.002268 397.26169 402.42749 421.0 0.002375 397.30441 402.78354 416.0 0.002404 397.34714 403.25113 403.0 0.002481 397.38983 403.87567 410.0 0.002439 397.43246 404.72781 395.0 0.002532 397.47504 405.91553 387.0 0.002584 397.51767 407.59305 428.0 0.002336 397.56018 409.94278 384.0 0.002604 397.60272 413.03690 388.0 0.002577 397.64520 416.40924 433.0 0.002309 397.68765 418.67041 422.0 0.002370 397.73007 418.74857 402.0 0.002488 397.77246 417.46045 410.0 0.002439 397.81482 416.27094 384.0 0.002604 397.85715 415.01715 397.0 0.002519 397.89941 413.16281 378.0 0.002646 397.94168 410.96750 402.0 0.002488 397.98392 408.96576 458.0 0.002183 398.02609 407.66232 413.0 0.002421 398.06824 406.82019 405.0 0.002469 398.11038 406.23398 393.0 0.002545 398.15247 405.97675 407.0 0.002457 398.19452 405.89346 407.0 0.002457 398.23654 405.94058 405.0 0.002469 398.27853 406.09042 393.0 0.002545 398.32053 406.32718 420.0 0.002381 398.36246 406.64182 419.0 0.002387 398.40433 407.03949 380.0 0.002632 398.44617 407.50198 376.0 0.002660 398.48801 408.04111 420.0 0.002381 398.52982 408.66260 402.0 0.002488 398.57156 409.37445 404.0 0.002475 398.61328 410.19272 411.0 0.002433 398.65500 411.12411 397.0 0.002519 398.69666 412.18918 421.0 0.002375 398.73828 413.41861 382.0 0.002618 398.77985 414.83093 399.0 0.002506 398.82141 416.47000 423.0 0.002364 398.86292 418.38577 425.0 0.002353 398.90442 420.64044 420.0 0.002381 398.94586 423.32101 453.0 0.002208 398.98730 426.53265 433.0 0.002309 399.02866 430.42896 375.0 0.002667 399.07004 435.21655 469.0 0.002132 399.11133 441.18655 450.0 0.002222 399.15262 448.75854 471.0 0.002123 399.19388 458.55591 402.0 0.002488 399.23505 471.52438 495.0 0.002020 399.27628 489.11328 513.0 0.001949 399.31741 513.52460 564.0 0.001773 399.35849 547.98163 541.0 0.001848 399.39957 596.75562 636.0 0.001572 399.44058 663.85577 644.0 0.001553 399.48160 747.27917 755.0 0.001325 399.52258 826.49469 943.0 0.001060 399.56348 863.29681 1021.0 0.000979 399.60440 846.45636 798.0 0.001253 399.64526 809.38342 687.0 0.001456 399.68607 776.42316 735.0 0.001361 399.72684 738.74994 765.0 0.001307 399.76761 685.13068 642.0 0.001558 399.80835 626.32111 525.0 0.001905 399.84900 576.99896 499.0 0.002004 399.88965 541.58258 473.0 0.002114 399.93024 518.11792 482.0 0.002075 399.97083 502.52658 487.0 0.002053 400.01135 490.15332 504.0 0.001984 400.05185 478.38791 431.0 0.002320 400.09232 467.88571 485.0 0.002062 400.13275 459.45206 405.0 0.002469 400.17313 452.18332 435.0 0.002299 400.21350 444.98291 446.0 0.002242 400.25381 438.07397 439.0 0.002278 400.29410 432.17261 377.0 0.002653 400.33432 427.46381 407.0 0.002457 400.37454 423.78485 429.0 0.002331 400.41470 420.88620 449.0 0.002227 400.45483 418.56686 423.0 0.002364 400.49493 416.67764 425.0 0.002353 400.53500 415.11346 398.0 0.002513 400.57498 413.79935 397.0 0.002519 400.61499 412.67322 435.0 0.002299 400.65497 411.71475 444.0 0.002252 400.69485 410.88547 424.0 0.002358 400.73471 410.15155 416.0 0.002404 400.77457 409.51932 389.0 0.002571 400.81436 408.96347 415.0 0.002410 400.85413 408.47311 415.0 0.002410 400.89383 408.03583 408.0 0.002451 400.93353 407.65244 448.0 0.002232 400.97314 407.31390 424.0 0.002358 401.01279 407.01630 409.0 0.002445 401.05234 406.75781 411.0 0.002433 401.09189 406.53760 407.0 0.002457 401.13138 406.35736 425.0 0.002353 401.17084 406.21997 421.0 0.002375 401.21024 406.12759 435.0 0.002299 401.24960 406.07257 405.0 0.002469 401.28897 406.02182 377.0 0.002653 401.32828 405.92456 398.0 0.002513 401.36755 405.77057 380.0 0.002632 401.40677 405.60300 456.0 0.002193 401.44598 405.45233 416.0 0.002404 401.48511 405.30676 428.0 0.002336 401.52423 405.14893 389.0 0.002571 401.56329 404.98929 423.0 0.002364 401.60233 404.84686 451.0 0.002217 401.64133 404.72900 399.0 0.002506 401.68027 404.63367 377.0 0.002653 401.71918 404.55692 403.0 0.002481 401.75806 404.49463 445.0 0.002247 401.79691 404.44424 371.0 0.002695 401.83569 404.41061 401.0 0.002494 401.87445 404.36725 403.0 0.002481 401.91321 404.34311 397.0 0.002519 401.95187 404.32593 391.0 0.002558 401.99054 404.31540 436.0 0.002294 402.02911 404.30902 400.0 0.002500 402.06766 404.30942 400.0 0.002500 402.10620 404.31808 404.0 0.002475 402.14465 404.33340 426.0 0.002347 402.18314 404.35562 363.0 0.002755 402.22153 404.38437 403.0 0.002481 402.25989 404.42221 395.0 0.002532 402.29822 404.46912 394.0 0.002538 402.33649 404.52631 431.0 0.002320 402.37476 404.59546 374.0 0.002674 402.41293 404.67883 390.0 0.002564 402.45111 404.77914 373.0 0.002681 402.48923 404.90027 381.0 0.002625 402.52731 405.04749 390.0 0.002564 402.56537 405.22803 408.0 0.002451 402.60336 405.45221 400.0 0.002500 402.64133 405.73459 355.0 0.002817 402.67926 406.09726 397.0 0.002519 402.71713 406.57260 415.0 0.002410 402.75497 407.20834 417.0 0.002398 402.79279 408.07327 447.0 0.002237 402.83054 409.25845 416.0 0.002404 402.86826 410.86163 393.0 0.002545 402.90591 412.90536 398.0 0.002513 402.94354 415.25748 407.0 0.002457 402.98114 416.91776 408.0 0.002451 403.01871 417.33365 412.0 0.002427 403.05621 417.10516 419.0 0.002387 403.09369 416.52396 422.0 0.002370 403.13113 416.24594 449.0 0.002227 403.16852 415.86716 376.0 0.002660 403.20587 415.32324 414.0 0.002415 403.24316 415.10776 394.0 0.002538 403.28043 415.30780 393.0 0.002545 403.31766 416.06689 447.0 0.002237 403.35483 416.91040 405.0 0.002469 403.39197 417.08966 435.0 0.002299 403.42908 416.38638 409.0 0.002445 403.46613 415.35953 383.0 0.002611 403.50311 414.48062 395.0 0.002532 403.54013 413.65115 412.0 0.002427 403.57703 412.57254 403.0 0.002481 403.61392 411.28571 413.0 0.002421 403.65079 409.82901 394.0 0.002538 403.68759 408.85764 384.0 0.002604 403.72433 408.01526 413.0 0.002421 403.76108 407.49368 390.0 0.002564 403.79773 406.99762 438.0 0.002283 403.83438 406.73126 415.0 0.002410 403.87097 406.48178 400.0 0.002500 403.90750 406.34903 415.0 0.002410 403.94403 406.25861 399.0 0.002506 403.98050 406.20129 389.0 0.002571 404.01691 406.17081 430.0 0.002326 404.05331 406.16312 414.0 0.002415 404.08963 406.16440 400.0 0.002500 404.12592 406.18756 390.0 0.002564 404.16217 406.24039 410.0 0.002439 404.19839 406.31500 409.0 0.002445 404.23456 406.40906 407.0 0.002457 404.27069 406.53601 444.0 0.002252 404.30676 406.70941 410.0 0.002439 404.34280 406.93912 413.0 0.002421 404.37878 407.24649 380.0 0.002632 404.41473 407.65927 426.0 0.002347 404.45065 408.20398 392.0 0.002551 404.48654 408.88000 411.0 0.002433 404.52234 409.59311 381.0 0.002625 404.55811 410.11856 416.0 0.002404 404.59384 410.24393 429.0 0.002331 404.62955 410.05487 415.0 0.002410 404.66519 409.81378 422.0 0.002370 404.70081 409.62085 427.0 0.002342 404.73636 409.39099 450.0 0.002222 404.77185 409.03653 423.0 0.002364 404.80734 408.62915 411.0 0.002433 404.84277 408.26968 421.0 0.002375 404.87814 407.99750 409.0 0.002445 404.91348 407.81387 409.0 0.002445 404.94879 407.69919 420.0 0.002381 404.98404 407.63583 406.0 0.002463 405.01926 407.61234 444.0 0.002252 405.05441 407.61395 430.0 0.002326 405.08954 407.63678 426.0 0.002347 405.12460 407.67517 380.0 0.002632 405.15964 407.72644 415.0 0.002410 405.19464 407.78842 408.0 0.002451 405.22958 407.85947 409.0 0.002445 405.26447 407.93887 405.0 0.002469 405.29932 408.02560 395.0 0.002532 405.33414 408.11923 443.0 0.002257 405.36890 408.21985 453.0 . . . loop_ _refln_index_h _refln_index_k _refln_index_l _pd_refln_wavelength_id _refln_observed_status _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc _refln_d_spacing _gsas_i100_meas 1 1 0 1 o 14789.396 1300.288 0.00 4.02524 11.57 1 1 0 2 o 12917.655 1300.288 0.00 4.02524 5.05 1 1 2 1 o 106581.34 107751.52 -44.41 3.28693 100.00 1 1 2 2 o 104486.95 107751.52 -44.41 3.28693 48.71 1 0 3 1 o 413.508 2197.490 -180.00 3.15834 0.67 1 0 3 2 o 124.137 2197.490 -180.00 3.15834 0.20 0 0 4 1 o -16.295 49.207 0.00 2.84716 0.00 0 0 4 2 o -16.295 49.207 0.00 2.84716 0.00 2 0 0 1 o -31.053 26.648 0.00 2.84627 0.00 2 0 0 2 o -31.053 26.648 0.00 2.84627 0.00 2 0 2 1 o -630.523 2469.448 0.00 2.54594 0.00 2 0 2 2 o -630.523 2469.448 0.00 2.54594 0.00 2 1 1 1 o -106.724 2105.171 -158.43 2.48447 0.19 2 1 1 2 o -269.885 2105.171 -158.43 2.48447 0.00 1 1 4 1 o -402.960 2133.932 48.88 2.32445 0.00 1 1 4 2 o -402.960 2133.932 48.88 2.32445 0.00 1 0 5 1 o -269.183 1531.180 180.00 2.11473 0.00 2 1 3 1 o -199.051 785.709 -151.79 2.11436 0.00 1 0 5 2 o -193.117 1531.180 180.00 2.11473 0.02 2 1 3 2 o -146.188 785.709 -151.79 2.11436 0.02 2 0 4 1 o 167202.27 154961.45 0.00 2.01293 59.25 2 2 0 1 o 169551.63 156231.70 0.00 2.01262 30.05 2 0 4 2 o 165598.83 154961.45 0.00 2.01293 29.18 2 2 0 2 o 166544.81 156231.70 0.00 2.01262 14.67 0 0 6 1 o 13791.271 5997.708 0.00 1.89811 1.24 0 0 6 2 o 14484.758 5997.708 0.00 1.89811 0.65 2 2 2 1 o 731.804 180.314 -9.56 1.89758 0.35 2 2 2 2 o 795.104 180.314 -9.56 1.89758 0.19 3 0 1 1 o 7278.283 2780.312 180.00 1.87171 2.51 3 0 1 2 o 8275.858 2780.312 180.00 1.87171 1.42 3 1 0 1 o 1995.910 738.630 0.00 1.80014 0.75 3 1 0 2 o 2136.633 738.630 0.00 1.80014 0.39 1 1 6 2 o 79504.42 66215.92 43.81 1.71680 10.37 1 1 6 1 o 82537.17 66215.92 43.81 1.71680 21.69 3 1 2 1 o 83353.25 67299.88 44.29 1.71642 43.78 2 1 5 1 o 789.512 914.374 146.74 1.69748 0.54 3 1 2 2 o 80047.98 67299.88 44.29 1.71642 20.87 2 1 5 2 o 772.720 914.374 146.74 1.69748 0.26 3 0 3 2 o 32.641 52.319 -180.00 1.69730 0.02 3 0 3 1 o 33.399 52.319 -180.00 1.69730 0.04 2 2 4 1 o 89.417 24.793 4.06 1.64347 0.03 2 2 4 2 o 86.960 24.793 4.06 1.64347 0.02 2 0 6 1 o 963.420 269.561 180.00 1.57917 0.21 2 0 6 2 o 391.359 269.561 180.00 1.57917 0.04 1 0 7 1 o 1077.990 449.816 -180.00 1.56431 0.30 1 0 7 2 o 654.087 449.816 -180.00 1.56431 0.10 3 2 1 1 o 714.923 300.552 127.07 1.56387 0.39 3 2 1 2 o 355.020 300.552 127.07 1.56387 0.11 3 1 4 1 o 1183.601 1662.925 -44.92 1.52153 0.71 3 1 4 2 o 1379.778 1662.925 -44.92 1.52153 0.40 3 0 5 1 o 314.016 189.703 180.00 1.45790 0.10 3 2 3 1 o 3730.591 2654.887 167.56 1.45778 1.67 3 0 5 2 o 269.959 189.703 180.00 1.45790 0.04 3 2 3 2 o 3342.159 2654.887 167.56 1.45778 0.75 0 0 8 1 o 117393.98 105385.59 0.00 1.42358 5.40 0 0 8 2 o 106622.47 105385.59 0.00 1.42358 2.42 4 0 0 1 o 120316.00 108982.94 0.00 1.42314 11.06 4 0 0 2 o 108529.53 108982.94 0.00 1.42314 4.92 2 2 6 1 o 3291.101 4549.507 1.58 1.38087 0.75 4 0 2 1 o 54.543 167.128 0.00 1.38067 0.06 2 2 6 2 o 3159.875 4549.507 1.58 1.38087 0.36 4 0 2 2 o 48.087 167.128 0.00 1.38067 0.03 2 1 7 1 o 962.247 1344.958 166.83 1.37091 0.45 4 1 1 1 o 893.331 1159.201 130.32 1.37061 0.39 2 1 7 2 o 1394.668 1344.958 166.83 1.37091 0.30 4 1 1 2 o 1193.899 1159.201 130.32 1.37061 0.25 1 1 8 1 o 2145.267 3594.683 -63.53 1.34212 0.43 1 1 8 2 o 1770.904 3594.683 -63.53 1.34212 0.18 3 3 0 1 o 403.579 930.450 0.00 1.34175 0.08 3 3 0 2 o 284.658 930.450 0.00 1.34175 0.03 3 1 6 1 o 45497.83 47612.01 -44.47 1.30615 14.24 3 3 2 1 o 46453.83 48411.82 -44.96 1.30598 7.28 3 1 6 2 o 46060.61 47612.01 -44.47 1.30615 7.19 3 3 2 2 o 46770.73 48411.82 -44.96 1.30598 3.65 3 2 5 1 o 1708.694 1891.235 -160.88 1.29758 0.67 4 1 3 1 o 1431.475 1581.565 148.28 1.29750 0.56 3 2 5 2 o 1694.659 1891.235 -160.88 1.29758 0.33 4 1 3 2 o 1416.799 1581.565 148.28 1.29750 0.28 2 0 8 1 o 75.093 26.251 0.00 1.27321 0.02 4 0 4 1 o 50.936 1.503 0.00 1.27297 0.02 4 2 0 1 o 54.289 0.004 180.00 1.27289 0.02 2 0 8 2 o 128.143 26.251 0.00 1.27321 0.01 4 0 4 2 o 116.176 1.503 0.00 1.27297 0.02 4 2 0 2 o 129.717 0.004 180.00 1.27289 0.02 4 2 2 1 o 274.460 1475.886 5.34 1.24223 0.25 4 2 2 2 o 647.211 1475.886 5.34 1.24223 0.18 1 0 9 1 o 216.225 539.008 -180.00 1.23525 0.06 3 0 7 1 o 1199.161 2355.053 180.00 1.23511 0.23 1 0 9 2 o 42.152 539.008 -180.00 1.23525 0.02 3 0 7 2 o 567.785 2355.053 180.00 1.23511 0.07 3 3 4 1 o 2162.892 1083.215 49.41 1.21372 0.39 3 3 4 2 o 4514.298 1083.215 49.41 1.21372 0.37