#------------------------------------------------------------------------------ #$Date: 2025-07-01 16:08:04 +0300 (Tue, 01 Jul 2025) $ #$Revision: 1369 $ #$URL: svn://localhost/testcod/cif/4/30/00/4300062.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_4300062 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 Fe0.2 Se4 Sn Zn0.8' _chemical_formula_weight 625.10 _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 2013-08-08T14:38 _audit_creation_method 'from EXP file using GSAS2CIF' _audit_update_record ' 2013-08-08T14:38 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 5.6950(12) _cell_length_b 5.695 _cell_length_c 11.387(5) _cell_volume 369.31(18) _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 2013-08-08T14:38|YD086-1_I|YD086-1.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/86-1/YD86-1.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 2013-08-08T14:38:55 _pd_proc_info_excluded_regions ' ?' _pd_proc_ls_background_function ; GSAS Background function number 2 with 3 terms. Cosine Fourier series 1: 289.941 2: 82.4246 3: -89.0574 ; _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) = 3.502 #5(LX) = 7.449 #6(LY) = 27.480 #7(S/L) = 0.0005 #8(H/L) = 0.0005 #9(trns) = -4.11 #10(shft)= -6.3667 #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 0.0636 _pd_proc_ls_prof_wR_expected 0.0481 _pd_proc_ls_prof_wR_factor 0.0841 _pd_proc_number_of_points 1205 _pd_spec_mounting ' ?' _refine_ls_goodness_of_fit_all 1.75 _refine_ls_matrix_type full _refine_ls_number_parameters 6 _refine_ls_number_restraints 0 _refine_ls_R_Fsqd_factor 0.45212 _refine_ls_shift/su_max 0.74 _refine_ls_shift/su_mean 0.25 _reflns_d_resolution_high 1.214 _reflns_d_resolution_low 4.028 _reflns_limit_h_max 4 _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_004.cif _cod_data_source_block YD086-1_I_publ _cod_original_cell_volume 369.31(8) _cod_original_formula_sum 'Cu2 Fe0.20 Se4 Sn Zn0.80' _cod_database_code 4300062 _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 0.00283 4 Sn Sn 0.0 0.0 0.5 1.0 Uiso 0.00281 2 Se Se 0.2412 0.2412 0.1317 1.0 Uiso 0.00234 8 Zn Zn 0.0 0.0 0.0 0.8 Uiso 0.00347 2 Fe Fe 0.0 0.0 0.0 0.2 Uiso 0.00347 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 Zn 1.6 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 Fe 0.4 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 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 112.465(25) 1_555 . 3_565 N Se Cu Se 107.995(12) 1_555 . 102_455 N Se Cu Se 107.995(12) 1_555 . 104_555 N Se Cu Se 107.995(12) 3_565 . 102_455 N Se Cu Se 107.995(12) 3_565 . 104_555 N Se Cu Se 112.465(25) 102_455 . 104_555 N Se Sn Se 109.943(13) 101_445 . 102_455 N Se Sn Se 108.531(25) 101_445 . 103_555 N Se Sn Se 109.943(13) 101_445 . 104_545 N Se Sn Se 109.943(13) 102_455 . 103_555 N Se Sn Se 108.531(25) 102_455 . 104_545 N Se Sn Se 109.943(13) 103_555 . 104_545 N Cu Se Cu 112.359(25) 1_555 . 6_555 N Cu Se Sn 107.510(13) 1_555 . 101_554 N Cu Se Zn 111.272(12) 1_555 . 1_555 N Cu Se Fe 111.272(12) 1_555 . 1_555 N Cu Se Sn 107.510(13) 6_555 . 101_554 N Cu Se Zn 111.272(12) 6_555 . 1_555 N Cu Se Fe 111.272(12) 6_555 . 1_555 N Sn Se Zn 106.598(26) 101_554 . 1_555 N Sn Se Fe 106.598(26) 101_554 . 1_555 N Zn Se Fe 0.0 1_555 . 1_555 N Se Zn Se 111.927(14) 1_555 . 2_555 N Se Zn Se 104.665(26) 1_555 . 3_555 N Se Zn Se 111.927(14) 1_555 . 4_555 N Se Zn Se 111.927(14) 2_555 . 3_555 N Se Zn Se 104.665(26) 2_555 . 4_555 N Se Zn Se 111.927(14) 3_555 . 4_555 N Se Fe Se 111.927(14) 1_555 . 2_555 N Se Fe Se 104.665(26) 1_555 . 3_555 N Se Fe Se 111.927(14) 1_555 . 4_555 N Se Fe Se 111.927(14) 2_555 . 3_555 N Se Fe Se 104.665(26) 2_555 . 4_555 N Se Fe Se 111.927(14) 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 2.4236(5) . 1_555 N Cu Se 2.4236(5) . 3_565 N Cu Se 2.4236(5) . 102_455 N Cu Se 2.4236(5) . 104_555 N Sn Se 2.5678(5) . 101_445 N Sn Se 2.5678(5) . 102_455 N Sn Se 2.5678(5) . 103_555 N Sn Se 2.5678(5) . 104_545 N Se Cu 2.4236(5) . 1_555 N Se Cu 2.4236(5) . 6_555 N Se Sn 2.5678(5) . 101_554 N Se Zn 2.4541(5) . 1_555 N Se Fe 2.4541(5) . 1_555 N Zn Se 2.4541(5) . 1_555 N Zn Se 2.4541(5) . 2_555 N Zn Se 2.4541(5) . 3_555 N Zn Se 2.4541(5) . 4_555 N Fe Se 2.4541(5) . 1_555 N Fe Se 2.4541(5) . 2_555 N Fe Se 2.4541(5) . 3_555 N Fe Se 2.4541(5) . 4_555 N loop_ _pd_meas_counts_total _pd_proc_ls_weight _pd_proc_intensity_bkg_calc _pd_calc_intensity_total 386.0 0.002591 299.17288 299.29245 399.0 0.002506 299.24802 299.37250 388.0 0.002577 299.32333 299.45303 352.0 0.002841 299.39880 299.53415 411.0 0.002433 299.47440 299.61584 409.0 0.002445 299.55017 299.69815 389.0 0.002571 299.62607 299.78116 374.0 0.002674 299.70209 299.86493 355.0 0.002817 299.77829 299.94952 360.0 0.002778 299.85461 300.03503 376.0 0.002660 299.93109 300.12146 365.0 0.002740 300.00772 300.20908 378.0 0.002646 300.08447 300.29785 362.0 0.002762 300.16144 300.38803 347.0 0.002882 300.23849 300.47974 363.0 0.002755 300.31567 300.57318 337.0 0.002967 300.39304 300.66861 350.0 0.002857 300.47052 300.76630 319.0 0.003135 300.54816 300.86661 306.0 0.003268 300.62592 300.96991 330.0 0.003030 300.70386 301.07681 323.0 0.003096 300.78192 301.18774 301.0 0.003322 300.86011 301.30374 315.0 0.003175 300.93845 301.42560 342.0 0.002924 301.01694 301.55457 332.0 0.003012 301.09558 301.69226 305.0 0.003279 301.17435 301.84073 314.0 0.003185 301.25327 302.00259 344.0 0.002907 301.33228 302.18158 337.0 0.002967 301.41150 302.38254 345.0 0.002899 301.49081 302.61227 316.0 0.003165 301.57028 302.88062 342.0 0.002924 301.64990 303.20166 316.0 0.003165 301.72964 303.59689 328.0 0.003049 301.80951 304.09973 337.0 0.002967 301.88953 304.76468 318.0 0.003145 301.96970 305.68491 333.0 0.003003 302.05002 307.03137 325.0 0.003077 302.13043 309.14297 387.0 0.002584 302.21100 312.79663 352.0 0.002841 302.29172 320.12299 380.0 0.002632 302.37256 336.76477 385.0 0.002597 302.45352 370.70789 390.0 0.002564 302.53464 395.67734 326.0 0.003067 302.61591 375.68524 349.0 0.002865 302.69727 342.50140 300.0 0.003333 302.77881 323.14304 331.0 0.003021 302.86044 314.57599 300.0 0.003333 302.94223 310.53067 302.0 0.003311 303.02417 308.34116 346.0 0.002890 303.10620 307.03409 287.0 0.003484 303.18839 306.20609 341.0 0.002933 303.27072 305.66086 308.0 0.003247 303.35315 305.29291 322.0 0.003106 303.43573 305.04150 306.0 0.003268 303.51846 304.86981 318.0 0.003145 303.60132 304.75452 310.0 0.003226 303.68430 304.68015 326.0 0.003067 303.76740 304.63629 312.0 0.003205 303.85065 304.61557 320.0 0.003125 303.93402 304.61282 318.0 0.003145 304.01752 304.62405 311.0 0.003215 304.10117 304.64661 324.0 0.003086 304.18491 304.67810 310.0 0.003226 304.26877 304.71710 289.0 0.003460 304.35281 304.76218 289.0 0.003460 304.43698 304.81235 285.0 0.00351 304.52124 304.86679 292.0 0.003425 304.60565 304.92487 278.0 0.00360 304.69016 304.98605 290.0 0.003448 304.77481 305.04987 327.0 0.003058 304.85959 305.11603 298.0 0.003356 304.94452 305.18420 303.0 0.003300 305.02957 305.25412 288.0 0.003472 305.11472 305.32559 309.0 0.003236 305.20001 305.39850 325.0 0.003077 305.28540 305.47260 304.0 0.003289 305.37094 305.54779 305.0 0.003279 305.45663 305.62396 285.0 0.00351 305.54239 305.70108 288.0 0.003472 305.62833 305.77899 281.0 0.00356 305.71432 305.85764 254.0 0.00394 305.80051 305.93698 302.0 0.003311 305.88678 306.01691 295.0 0.003390 305.97318 306.09741 294.0 0.003401 306.05969 306.17847 330.0 0.003030 306.14633 306.26004 278.0 0.00360 306.23312 306.34204 293.0 0.003413 306.32001 306.42447 285.0 0.00351 306.40701 306.44772 300.0 0.003333 306.49414 306.50363 314.0 0.003185 306.58139 310.24994 306.0 0.003268 306.66876 312.27667 277.0 0.00361 306.75626 312.58347 310.0 0.003226 306.84387 312.90359 286.0 0.003497 306.93161 313.23807 271.0 0.00369 307.01944 313.58804 279.0 0.00358 307.10739 313.95486 302.0 0.003311 307.19547 314.33997 327.0 0.003058 307.28366 314.74496 282.0 0.00355 307.37201 315.17169 300.0 0.003333 307.46045 315.62213 290.0 0.003448 307.54898 316.09848 291.0 0.003436 307.63766 316.60327 318.0 0.003145 307.72644 317.13943 295.0 0.003390 307.81537 317.71008 316.0 0.003165 307.90436 318.31879 343.0 0.002915 307.99347 318.96967 311.0 0.003215 308.08273 319.66742 285.0 0.00351 308.17209 320.41742 304.0 0.003289 308.26157 321.22571 263.0 0.00380 308.35114 322.09937 324.0 0.003086 308.44083 323.04639 337.0 0.002967 308.53064 324.07642 319.0 0.003135 308.62057 325.28433 296.0 0.003378 308.71060 326.55957 273.0 0.00366 308.80075 327.91745 300.0 0.003333 308.89102 329.41556 289.0 0.003460 308.98138 331.07553 311.0 0.003215 309.07187 332.92297 341.0 0.002933 309.16248 334.98914 323.0 0.003096 309.25314 337.31140 348.0 0.002874 309.34396 339.93646 329.0 0.003040 309.43491 342.92157 330.0 0.003030 309.52591 346.33798 371.0 0.002695 309.61707 350.27588 339.0 0.002950 309.70828 354.84988 400.0 0.002500 309.79965 360.20865 360.0 0.002778 309.89114 366.54614 369.0 0.002710 309.98267 374.12015 350.0 0.002857 310.07437 383.27969 397.0 0.002519 310.16617 394.50281 381.0 0.002625 310.25803 408.46793 479.0 0.002088 310.35001 426.14966 472.0 0.002119 310.44211 448.99631 517.0 0.001934 310.53433 479.22968 584.0 0.001712 310.62665 520.40094 716.0 0.001397 310.71909 578.43988 814.0 0.001229 310.81158 663.83643 1034.0 0.000967 310.90421 796.64783 1199.0 0.000834 310.99692 1020.00269 1632.0 0.000613 311.08975 1438.46155 2248.0 0.000445 311.18268 2295.84326 3494.0 0.0002862 311.27573 3965.92310 5803.0 0.0001723 311.36887 5770.29688 6170.0 0.0001621 311.46210 5465.75537 3911.0 0.0002557 311.55545 3894.25049 1906.0 0.000525 311.64890 2325.15771 1283.0 0.000779 311.74243 1457.85718 1143.0 0.000875 311.83606 1028.89197 1005.0 0.000995 311.92981 801.24725 769.0 0.001300 312.02365 667.17487 598.0 0.001672 312.11758 581.53107 471.0 0.002123 312.21164 523.62830 382.0 0.002618 312.30576 482.78806 388.0 0.002577 312.39996 453.01407 423.0 0.002364 312.49432 430.74979 390.0 0.002564 312.58875 413.79117 340.0 0.002941 312.68329 400.73581 364.0 0.002747 312.77792 390.69376 398.0 0.002513 312.87262 383.13168 364.0 0.002747 312.96744 377.83273 381.0 0.002625 313.06235 374.95959 342.0 0.002924 313.15738 375.37637 391.0 0.002558 313.25247 381.54459 354.0 0.002825 313.34763 399.00848 399.0 0.002506 313.44293 433.80533 402.0 0.002488 313.53833 461.57578 434.0 0.002304 313.63382 446.39557 392.0 0.002551 313.72937 410.74503 355.0 0.002817 313.82504 378.18527 324.0 0.003086 313.92078 359.61429 348.0 0.002874 314.01663 349.54636 377.0 0.002653 314.11255 343.55392 325.0 0.003077 314.20859 339.57672 340.0 0.002941 314.30472 336.71271 334.0 0.002994 314.40094 334.53113 333.0 0.003003 314.49722 332.80127 330.0 0.003030 314.59363 331.38684 311.0 0.003215 314.69009 330.20435 332.0 0.003012 314.78668 329.19800 356.0 0.002809 314.88330 328.33029 356.0 0.002809 314.98007 327.57416 335.0 0.002985 315.07687 326.90973 319.0 0.003135 315.17383 326.32205 330.0 0.003030 315.27081 325.79944 343.0 0.002915 315.36792 325.33276 321.0 0.003115 315.46512 324.91449 350.0 0.002857 315.56235 324.53876 340.0 0.002941 315.65973 324.20035 317.0 0.003155 315.75714 323.89517 303.0 0.003300 315.85464 323.61957 364.0 0.002747 315.95227 323.37054 313.0 0.003195 316.04996 323.14545 304.0 0.003289 316.14774 322.94202 345.0 0.002899 316.24561 322.75821 283.0 0.00353 316.34354 322.59238 317.0 0.003155 316.44156 318.77167 311.0 0.003215 316.53967 318.77188 330.0 0.003030 316.63785 316.99283 314.0 0.003185 316.73611 317.07025 333.0 0.003003 316.83447 317.14960 326.0 0.003067 316.93289 317.23074 318.0 0.003145 317.03137 317.31345 328.0 0.003049 317.12997 317.39749 309.0 0.003236 317.22867 317.48291 289.0 0.003460 317.32742 317.56958 299.0 0.003344 317.42624 317.65726 323.0 0.003096 317.52515 317.74603 354.0 0.002825 317.62411 317.83569 316.0 0.003165 317.72318 317.92627 307.0 0.003257 317.82233 318.01773 321.0 0.003115 317.92151 318.11005 325.0 0.003077 318.02081 318.20316 329.0 0.003040 318.12021 318.29715 288.0 0.003472 318.21964 318.39200 328.0 0.003049 318.31915 318.48776 300.0 0.003333 318.41876 318.58459 276.0 0.00362 318.51843 318.68265 319.0 0.003135 318.61816 318.78217 340.0 0.002941 318.71799 318.80042 290.0 0.003448 318.81787 318.86517 312.0 0.003205 318.91782 318.97668 326.0 0.003067 319.01785 319.09305 349.0 0.002865 319.11798 319.21689 324.0 0.003086 319.21814 319.35352 324.0 0.003086 319.31839 319.51416 294.0 0.003401 319.41870 319.72443 331.0 0.003021 319.51910 320.04218 313.0 0.003195 319.61957 320.55731 300.0 0.003333 319.72009 321.14313 330.0 0.003030 319.82068 321.26120 270.0 0.00370 319.92136 321.04825 316.0 0.003165 320.02209 320.72406 311.0 0.003215 320.12292 320.52716 331.0 0.003021 320.22379 320.47040 291.0 0.003436 320.32474 320.48795 323.0 0.003096 320.42572 320.54099 323.0 0.003096 320.52682 320.61206 346.0 0.002890 320.62796 320.69330 308.0 0.003247 320.72919 320.78043 330.0 0.003030 320.83044 320.87152 307.0 0.003257 320.93179 320.96524 302.0 0.003311 321.03320 321.06073 333.0 0.003003 321.13467 321.15756 324.0 0.003086 321.23621 321.25537 296.0 0.003378 321.33780 321.41388 323.0 0.003096 321.43945 321.51505 325.0 0.003077 321.54120 321.64685 321.0 0.003115 321.64297 321.75009 303.0 0.003300 321.74481 321.85382 308.0 0.003247 321.84671 321.95804 305.0 0.003279 321.94870 322.06265 331.0 0.003021 322.05072 322.16769 325.0 0.003077 322.15280 322.27313 330.0 0.003030 322.25497 322.37894 262.0 0.00382 322.35718 322.48526 299.0 0.003344 322.45944 322.59192 314.0 0.003185 322.56177 322.69901 327.0 0.003058 322.66415 322.80652 338.0 0.002959 322.76660 322.91455 328.0 0.003049 322.86911 323.02307 301.0 0.003322 322.97168 323.13205 290.0 0.003448 323.07428 323.24161 294.0 0.003401 323.17697 323.43393 292.0 0.003425 323.27969 323.54749 295.0 0.003390 323.38248 323.70300 279.0 0.00358 323.48532 323.81973 298.0 0.003356 323.58820 323.93750 333.0 0.003003 323.69116 324.05637 311.0 0.003215 323.79416 324.17657 306.0 0.003268 323.89722 324.29810 298.0 0.003356 324.00034 324.42120 315.0 0.003175 324.10352 324.54593 337.0 0.002967 324.20673 324.67249 310.0 0.003226 324.30997 324.80112 317.0 0.003155 324.41330 324.93204 282.0 0.00355 324.51669 325.06549 326.0 0.003067 324.62009 325.20190 328.0 0.003049 324.72357 325.34152 352.0 0.002841 324.82709 325.48492 379.0 0.002639 324.93066 325.63251 367.0 0.002725 325.03427 325.78491 321.0 0.003115 325.13794 325.94296 313.0 0.003195 325.24170 326.10757 299.0 0.003344 325.34546 326.27979 296.0 0.003378 325.44925 326.46094 333.0 0.003003 325.55310 326.65283 316.0 0.003165 325.65701 326.85751 321.0 0.003115 325.76099 327.07758 329.0 0.003040 325.86499 327.31671 284.0 0.00352 325.96906 327.57898 311.0 0.003215 326.07315 327.87094 286.0 0.003497 326.17728 328.19958 302.0 0.003311 326.28143 328.57770 313.0 0.003195 326.38568 329.01990 302.0 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368.0 0.002717 371.76801 371.90479 373.0 0.002681 371.84808 371.99103 370.0 0.002703 371.92801 372.07791 345.0 0.002899 372.00778 372.16568 383.0 0.002611 372.08743 372.25421 371.0 0.002695 372.16690 372.34381 364.0 0.002747 372.24622 372.43475 344.0 0.002907 372.32541 372.52731 336.0 0.002976 372.40448 372.62164 388.0 0.002577 372.48337 372.70233 379.0 0.002639 372.56210 372.80252 386.0 0.002591 372.64066 372.90662 347.0 0.002882 372.71909 373.00784 401.0 0.002494 372.79739 373.12430 389.0 0.002571 372.87552 373.25085 397.0 0.002519 372.95349 373.39203 370.0 0.002703 373.03134 373.55563 395.0 0.002532 373.10901 373.75540 360.0 0.002778 373.18652 374.01355 341.0 0.002933 373.26385 374.35873 382.0 0.002618 373.34109 374.78674 398.0 0.002513 373.41815 375.14893 349.0 0.002865 373.49506 375.27505 393.0 0.002545 373.57181 375.32199 356.0 0.002809 373.64841 375.41907 418.0 0.002392 373.72479 375.49902 392.0 0.002551 373.80109 375.60794 420.0 0.002381 373.87723 375.86447 404.0 0.002475 373.95316 376.34137 405.0 0.002469 374.02899 377.13007 382.0 0.002618 374.10461 378.39523 392.0 0.002551 374.18011 380.34360 416.0 0.002404 374.25546 382.84988 406.0 0.002463 374.33063 384.68295 385.0 0.002597 374.40564 384.65591 416.0 0.002404 374.48050 383.70190 421.0 0.002375 374.55521 382.75140 380.0 0.002632 374.62973 381.40317 377.0 0.002653 374.70410 379.74768 385.0 0.002597 374.77829 378.38535 392.0 0.002551 374.85233 377.48846 391.0 0.002558 374.92624 376.93951 413.0 0.002421 374.99997 376.60977 366.0 0.002732 375.07352 376.44540 367.0 0.002725 375.14691 376.33755 393.0 0.002545 375.22015 376.28683 371.0 0.002695 375.29321 376.29095 374.0 0.002674 375.36612 376.31012 387.0 0.002584 375.43887 376.35190 349.0 0.002865 375.51147 376.41312 365.0 0.002740 375.58389 376.49097 334.0 0.002994 375.65613 376.58450 382.0 0.002618 375.72821 376.69385 359.0 0.002786 375.80011 376.81982 380.0 0.002632 375.87186 376.96448 389.0 0.002571 375.94345 377.13089 352.0 0.002841 376.01486 377.32370 403.0 0.002481 376.08612 377.54980 399.0 0.002506 376.15717 377.81866 361.0 0.002770 376.22809 378.14478 369.0 0.002710 376.29883 378.54919 352.0 0.002841 376.36942 379.06424 401.0 0.002494 376.43979 379.74072 391.0 0.002558 376.51004 380.66229 364.0 0.002747 376.58011 381.97040 394.0 0.002538 376.64999 383.90955 399.0 0.002506 376.71973 386.89221 372.0 0.002688 376.78928 391.51718 391.0 0.002558 376.85864 398.10492 447.0 0.002237 376.92786 404.65146 378.0 0.002646 376.99692 406.25897 361.0 0.002770 377.06573 403.41812 437.0 0.002288 377.13446 400.74231 396.0 0.002525 377.20297 397.84924 386.0 0.002591 377.27133 393.24164 388.0 0.002577 377.33945 388.69888 375.0 0.002667 377.40747 385.45142 397.0 0.002519 377.47525 383.58688 392.0 0.002551 377.54291 382.35391 409.0 0.002445 377.61038 381.46884 375.0 0.002667 377.67767 380.87192 370.0 0.002703 377.74481 380.63751 389.0 0.002571 377.81174 380.35471 365.0 0.002740 377.87848 380.15823 397.0 0.002519 377.94507 380.02359 365.0 0.002740 378.01151 379.93448 409.0 0.002445 378.07773 379.87982 397.0 0.002519 378.14377 379.85168 374.0 0.002674 378.20963 379.84430 351.0 0.002849 378.27533 379.85394 411.0 0.002433 378.34085 379.87701 387.0 0.002584 378.40619 379.91180 404.0 0.002475 378.47134 379.95627 374.0 0.002674 378.53632 380.00912 404.0 0.002475 378.60110 380.06958 366.0 0.002732 378.66571 380.13663 368.0 0.002717 378.73016 380.20993 347.0 0.002882 378.79440 380.28903 364.0 0.002747 378.85846 380.37372 400.0 0.002500 378.92233 380.46390 401.0 0.002494 378.98608 380.55957 389.0 0.002571 379.04956 380.66083 419.0 0.002387 379.11292 380.76785 393.0 0.002545 379.17606 380.88095 380.0 0.002632 379.23904 381.00061 402.0 0.002488 379.30182 381.12741 379.0 0.002639 379.36441 381.26208 367.0 0.002725 379.42685 381.40482 327.0 0.003058 379.48907 381.55838 334.0 0.002994 379.55112 381.72348 360.0 0.002778 379.61298 381.90158 383.0 0.002611 379.67465 382.09576 361.0 0.002770 379.73615 382.30890 389.0 0.002571 379.79742 382.54477 356.0 0.002809 379.85852 382.83063 391.0 0.002558 379.91946 383.12982 392.0 0.002551 379.98019 383.47363 410.0 0.002439 380.04074 383.87466 412.0 0.002427 380.10110 384.36276 390.0 0.002564 380.16129 384.93903 417.0 0.002398 380.22125 385.65961 383.0 0.002611 380.28107 386.58868 375.0 0.002667 380.34067 387.82123 421.0 0.002375 380.40005 389.52521 405.0 0.002469 380.45929 391.98114 394.0 0.002538 380.51831 395.67343 417.0 0.002398 380.57715 401.24667 371.0 0.002695 380.63580 409.25027 448.0 0.002232 380.69424 418.10620 501.0 0.001996 380.75250 422.22147 422.0 0.002370 380.81058 419.63983 455.0 0.002198 380.86844 416.02539 391.0 0.002558 380.92615 413.26166 432.0 0.002315 380.98361 408.71448 445.0 0.002247 381.04092 402.89191 411.0 0.002433 381.09802 398.15518 358.0 0.002793 381.15494 395.03363 390.0 0.002564 381.21164 393.12546 407.0 0.002457 381.26816 392.01187 386.0 0.002591 381.32446 391.41779 360.0 0.002778 381.38062 391.17987 408.0 0.002451 381.43655 391.20413 392.0 0.002551 381.49228 391.43835 375.0 0.002667 381.54779 391.85519 396.0 0.002525 381.60312 392.44476 383.0 0.002611 381.65829 393.21011 397.0 0.002519 381.71323 394.16504 417.0 0.002398 381.76797 395.33459 437.0 0.002288 381.82251 396.75681 442.0 0.002262 381.87686 398.48526 356.0 0.002809 381.93103 400.59506 361.0 0.002770 381.98499 403.19040 421.0 0.002375 382.03873 406.41833 426.0 0.002347 382.09229 410.48889 407.0 0.002457 382.14566 415.71057 438.0 0.002283 382.19876 422.54550 454.0 0.002203 382.25174 431.68954 476.0 0.002101 382.30447 444.33264 469.0 0.002132 382.35703 462.34503 480.0 0.002083 382.40936 488.89084 565.0 0.001770 382.46152 529.08649 547.0 0.001828 382.51349 590.06866 642.0 0.001558 382.56522 675.65985 754.0 0.001326 382.61676 765.93542 704.0 0.001420 382.66809 808.68817 668.0 0.001497 382.71921 788.65558 655.0 0.001527 382.77014 749.15796 722.0 0.001385 382.82086 713.14349 564.0 0.001773 382.87140 663.72418 515.0 0.001942 382.92172 599.93304 478.0 0.002092 382.97180 541.07245 474.0 0.002110 383.02170 497.64963 411.0 0.002433 383.07138 468.19516 410.0 0.002439 383.12091 448.31680 413.0 0.002421 383.17017 434.57886 400.0 0.002500 383.21927 424.78531 427.0 0.002342 383.26813 417.59058 373.0 0.002681 383.31677 412.16336 401.0 0.002494 383.36523 407.97644 391.0 0.002558 383.41348 404.68451 381.0 0.002625 383.46152 402.05444 396.0 0.002525 383.50940 399.92465 394.0 0.002538 383.55701 398.18036 373.0 0.002681 383.60440 396.73792 405.0 0.002469 383.65161 395.53595 370.0 0.002703 383.69861 394.52817 377.0 0.002653 383.74539 393.67957 353.0 0.002833 383.79199 392.96320 393.0 0.002545 383.83835 392.35815 395.0 0.002532 383.88449 391.84851 416.0 0.002404 383.93045 391.42163 347.0 0.002882 383.97620 391.06808 400.0 0.002500 384.02170 390.78091 411.0 0.002433 384.06702 390.55539 372.0 0.002688 384.11209 390.38895 423.0 0.002364 384.15701 390.28085 353.0 0.002833 384.20169 390.23312 389.0 0.002571 384.24615 390.25043 360.0 0.002778 384.29041 390.34103 380.0 0.002632 384.33441 390.51859 378.0 0.002646 384.37823 390.80417 386.0 0.002591 384.42184 391.23032 384.0 0.002604 384.46524 391.84811 375.0 0.002667 384.50839 393.22470 407.0 0.002457 384.55136 394.53189 399.0 0.002506 384.59415 396.46384 396.0 0.002525 384.63666 399.36954 408.0 0.002451 384.67899 403.81488 433.0 0.002309 384.72107 410.10596 425.0 0.002353 384.76297 416.81885 420.0 0.002381 384.80463 420.30875 410.0 0.002439 384.84607 418.86948 405.0 0.002469 384.88730 416.22821 395.0 0.002532 384.92831 414.63251 386.0 0.002591 384.96912 412.58768 412.0 0.002427 385.00970 409.32953 444.0 0.002252 385.05008 406.74948 376.0 0.002660 385.09021 406.11157 408.0 0.002451 385.13013 407.78473 385.0 0.002597 385.16983 411.75922 457.0 0.002188 385.20932 416.98447 422.0 0.002370 385.24860 420.21796 406.0 0.002463 385.28763 419.07910 395.0 0.002532 385.32645 415.84537 385.0 0.002597 385.36508 413.19385 399.0 0.002506 385.40344 410.42911 369.0 0.002710 385.44162 406.37036 392.0 0.002551 385.47955 401.97452 400.0 0.002500 385.51727 398.45306 357.0 0.002801 385.55478 395.98795 398.0 0.002513 385.59207 394.31567 416.0 0.002404 385.62912 393.17178 374.0 0.002674 385.66595 392.37531 378.0 0.002646 385.70255 391.81174 423.0 0.002364 385.73895 391.41049 401.0 0.002494 385.77512 391.12662 376.0 0.002660 385.81104 390.93121 378.0 0.002646 385.84677 390.80591 377.0 0.002653 385.88226 390.73755 367.0 0.002725 385.91751 390.71915 368.0 0.002717 385.95258 390.74640 415.0 0.002410 385.98737 390.81821 383.0 0.002611 386.02197 390.93558 386.0 0.002591 386.05634 391.10318 427.0 0.002342 386.09048 391.32919 370.0 0.002703 386.12439 391.62708 382.0 0.002618 386.15811 392.01733 392.0 0.002551 386.19156 392.53229 345.0 0.002899 386.22479 393.22333 380.0 0.002632 386.25778 394.17279 371.0 0.002695 386.29056 395.15717 410.0 0.002439 386.32312 397.10916 395.0 0.002532 386.35544 399.95932 407.0 0.002457 386.38754 403.94751 385.0 0.002597 386.41943 408.47678 394.0 0.002538 386.45108 411.99246 390.0 0.002564 386.48248 412.24484 394.0 0.002538 386.51367 410.34100 414.0 0.002415 386.54465 408.64865 394.0 0.002538 386.57538 407.21442 405.0 0.002469 386.60587 404.89636 417.0 0.002398 386.63611 401.94119 431.0 0.002320 386.66617 399.40790 356.0 0.002809 386.69595 397.65662 398.0 0.002513 386.72556 396.55618 407.0 0.002457 386.75488 395.90854 378.0 0.002646 386.78400 395.56827 373.0 0.002681 386.81287 395.44272 363.0 0.002755 386.84152 395.47507 402.0 0.002488 386.86996 395.63174 343.0 0.002915 386.89813 395.89224 387.0 0.002584 386.92609 396.24603 412.0 0.002427 386.95383 396.68814 376.0 0.002660 386.98129 397.21884 380.0 0.002632 387.00854 397.84149 410.0 0.002439 387.03558 398.56369 348.0 0.002874 387.06238 399.39587 394.0 0.002538 387.08890 400.35236 408.0 0.002451 387.11526 401.45215 418.0 0.002392 387.14133 402.71921 399.0 0.002506 387.16718 404.19601 417.0 0.002398 387.19281 405.89828 393.0 0.002545 387.21820 407.88809 395.0 0.002532 387.24335 410.23102 421.0 0.002375 387.26825 413.01257 396.0 0.002525 387.29291 416.35260 422.0 0.002370 387.31735 420.39359 414.0 0.002415 387.34158 425.35303 430.0 0.002326 387.36554 431.52682 425.0 0.002353 387.38928 439.33902 471.0 0.002123 387.41275 449.41159 462.0 0.002165 387.43600 462.68121 514.0 0.001946 387.45901 480.60669 499.0 0.002004 387.48181 505.45898 549.0 0.001821 387.50436 540.90204 586.0 0.001706 387.52667 592.62872 556.0 0.001799 387.54877 668.49341 654.0 0.001529 387.57059 774.61505 747.0 0.001339 387.59216 898.33868 976.0 0.001025 387.61349 984.58661 1045.0 0.000957 387.63464 980.58289 939.0 0.001065 387.65552 923.34869 782.0 0.001279 387.67618 875.54388 744.0 0.001344 387.69656 837.47443 810.0 0.001235 387.71671 776.07654 701.0 0.001427 387.73660 694.39478 608.0 0.001645 387.75629 621.19434 557.0 0.001795 387.77573 568.96698 464.0 0.002155 387.79492 535.66974 472.0 0.002119 387.81387 515.24567 489.0 0.002045 387.83258 500.21228 519.0 0.001927 387.85107 485.11407 454.0 0.002203 387.86929 470.95084 451.0 0.002217 387.88727 460.08649 427.0 0.002342 387.90503 451.46439 431.0 0.002320 387.92252 442.63641 441.0 0.002268 387.93979 433.63449 385.0 0.002597 387.95682 425.87195 419.0 0.002387 387.97360 419.84097 405.0 0.002469 387.99011 415.23492 377.0 0.002653 388.00641 411.66864 423.0 0.002364 388.02243 408.83356 389.0 0.002571 388.03824 406.54736 420.0 0.002381 388.05380 404.66107 389.0 0.002571 388.06912 403.08405 368.0 0.002717 388.08420 401.74121 416.0 0.002404 388.09903 400.58853 394.0 0.002538 388.11359 399.59000 391.0 0.002558 388.12793 398.72052 413.0 0.002421 388.14203 397.95490 424.0 0.002358 388.15588 397.27853 412.0 0.002427 388.16946 396.67850 406.0 0.002463 388.18283 396.14407 439.0 0.002278 388.19592 395.66711 347.0 0.002882 388.20880 395.24081 378.0 0.002646 388.22144 394.86020 424.0 0.002358 388.23380 394.52173 392.0 0.002551 388.24591 394.22366 382.0 0.002618 388.25778 393.96637 399.0 0.002506 388.26941 393.75278 410.0 0.002439 388.28079 393.58783 432.0 0.002315 388.29193 393.47211 382.0 0.002618 388.30283 393.38339 423.0 0.002364 388.31345 393.26312 406.0 0.002463 388.32385 393.07321 390.0 0.002564 388.33398 392.85248 385.0 0.002597 388.34390 392.65250 370.0 0.002703 388.35355 392.47134 374.0 0.002674 388.36295 392.27972 387.0 0.002584 388.37207 392.07758 393.0 0.002545 388.38098 391.88574 441.0 0.002268 388.38965 391.70822 413.0 0.002421 388.39801 391.57080 377.0 0.002653 388.40616 391.45361 412.0 0.002427 388.41409 391.35089 399.0 0.002506 388.42172 391.25467 366.0 0.002732 388.42914 391.17627 408.0 0.002451 388.43628 391.10672 371.0 0.002695 388.44318 391.04517 357.0 0.002801 388.44983 390.99091 400.0 0.002500 388.45624 390.94373 375.0 0.002667 388.46237 390.90329 393.0 0.002545 388.46829 390.86954 382.0 0.002618 388.47394 390.84262 371.0 0.002695 388.47931 390.82281 379.0 0.002639 388.48444 390.81042 409.0 0.002445 388.48935 390.81503 393.0 0.002545 388.49399 390.81976 413.0 0.002421 388.49835 390.83441 413.0 0.002421 388.50250 390.86041 378.0 0.002646 388.50638 390.89978 387.0 0.002584 388.51001 390.95941 389.0 0.002571 388.51337 391.03384 366.0 0.002732 388.51651 391.13202 424.0 0.002358 388.51935 391.26038 392.0 0.002551 388.52197 391.42743 405.0 0.002469 388.52435 391.64566 405.0 0.002469 388.52643 391.93317 382.0 0.002618 388.52829 392.31674 394.0 0.002538 388.52988 392.83722 388.0 0.002577 388.53125 393.55750 401.0 0.002494 388.53235 394.57532 415.0 0.002410 388.53317 396.03610 416.0 0.002404 388.53375 398.12549 433.0 0.002309 388.53406 400.95123 402.0 0.002488 388.53415 404.11816 400.0 0.002500 388.53394 406.24915 432.0 0.002315 388.53351 406.17215 369.0 0.002710 388.53281 404.84918 401.0 0.002494 388.53183 403.83249 454.0 0.002203 388.53064 403.31299 378.0 0.002646 388.52917 402.49863 382.0 0.002618 388.52747 401.17892 397.0 0.002519 388.52548 400.08066 377.0 0.002653 388.52325 399.80292 389.0 0.002571 388.52078 400.03903 401.0 0.002494 388.51801 401.62979 390.0 0.002564 388.51501 403.31879 429.0 0.002331 388.51172 404.15546 411.0 0.002433 388.50821 403.01489 411.0 0.002433 388.50446 401.54596 423.0 0.002364 388.50040 400.50839 388.0 0.002577 388.49612 399.61380 403.0 0.002481 388.49158 398.41711 434.0 0.002304 388.48676 396.74628 403.0 0.002481 388.48169 395.12592 403.0 0.002481 388.47638 393.85214 437.0 0.002288 388.47079 392.95718 387.0 0.002584 388.46494 392.31976 373.0 0.002681 388.45883 391.86057 424.0 0.002358 388.45248 391.51022 404.0 0.002475 388.44586 391.26126 403.0 0.002481 388.43900 391.07516 388.0 0.002577 388.43185 390.93665 434.0 0.002304 388.42447 390.83514 371.0 0.002695 388.41681 390.76401 407.0 0.002457 388.40887 390.71924 392.0 0.002551 388.40073 390.69849 411.0 0.002433 388.39227 390.70160 394.0 0.002538 388.38361 390.73029 397.0 0.002519 388.37463 390.78799 407.0 0.002457 388.36545 390.88162 384.0 0.002604 388.35596 391.02222 453.0 0.002208 388.34622 391.22778 422.0 0.002370 388.33624 391.52615 432.0 0.002315 388.32596 391.95932 396.0 0.002525 388.31543 392.58160 386.0 0.002591 388.30466 393.43073 405.0 0.002469 388.29361 394.41833 407.0 0.002457 388.28232 395.17136 387.0 0.002584 388.27075 395.25894 394.0 0.002538 388.25891 394.82980 423.0 0.002364 388.24683 394.38751 385.0 0.002597 388.23450 394.11615 417.0 0.002398 388.22189 393.81439 433.0 0.002309 388.20898 393.28467 405.0 0.002469 388.19586 392.64270 414.0 0.002415 388.18246 392.08313 415.0 0.002410 388.16879 391.66879 375.0 0.002667 388.15488 391.38080 394.0 0.002538 388.14069 391.18484 385.0 0.002597 388.12625 391.06406 419.0 0.002387 388.11154 390.97699 387.0 0.002584 388.09656 390.92206 407.0 0.002457 388.08133 390.89078 410.0 0.002439 388.06583 390.87762 432.0 0.002315 388.05005 390.88440 377.0 0.002653 388.03403 390.89749 399.0 0.002506 388.01773 390.92075 377.0 0.002653 388.00116 390.95215 415.0 0.002410 387.98434 390.99207 417.0 0.002398 387.96725 391.03943 427.0 0.002342 387.94992 391.09402 354.0 . . . 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 9620.164 1419.713 0.00 4.02754 7.38 1 1 0 2 o 8181.798 1419.713 0.00 4.02754 3.15 1 1 2 1 o 109825.09 108877.20 -44.21 3.28769 99.44 1 1 2 2 o 108965.37 108877.20 -44.21 3.28769 49.06 1 0 3 1 o 1394.786 2077.524 -180.00 3.15789 1.55 1 0 3 2 o 1581.615 2077.524 -180.00 3.15789 0.85 0 0 4 1 o 12.488 73.138 0.00 2.84586 0.00 0 0 4 2 o 12.488 73.138 0.00 2.84586 0.00 2 0 0 1 o -2.684 45.709 0.00 2.84790 0.00 2 0 0 2 o -2.684 45.709 0.00 2.84790 0.00 2 0 2 1 o -605.122 2613.105 0.00 2.54687 0.00 2 0 2 2 o -605.122 2613.105 0.00 2.54687 0.00 2 1 1 1 o 1314.503 2018.082 -157.31 2.48577 1.79 2 1 1 2 o 992.182 2018.082 -157.31 2.48577 0.71 1 1 4 1 o -384.490 2220.274 47.78 2.32419 0.00 1 1 4 2 o -384.490 2220.274 47.78 2.32419 0.00 2 1 3 1 o 485.216 720.932 -149.50 2.11490 0.57 1 0 5 1 o 1051.106 1441.441 180.00 2.11406 0.54 2 1 3 2 o 593.111 720.932 -149.50 2.11490 0.33 1 0 5 2 o 1216.383 1441.441 180.00 2.11406 0.30 2 2 0 1 o 163660.72 158768.22 0.00 2.01377 27.85 2 0 4 1 o 162902.77 157463.45 0.00 2.01305 55.42 2 2 0 2 o 162790.25 158768.22 0.00 2.01377 13.78 2 0 4 2 o 160462.47 157463.45 0.00 2.01305 27.13 2 2 2 1 o 567.879 210.589 -9.32 1.89845 0.28 0 0 6 1 o 10893.551 6209.146 0.00 1.89724 0.95 2 2 2 2 o 553.894 210.589 -9.32 1.89845 0.14 0 0 6 2 o 11374.194 6209.146 0.00 1.89724 0.49 3 0 1 1 o 5676.355 2717.193 180.00 1.87273 1.92 3 0 1 2 o 6597.373 2717.193 180.00 1.87273 1.10 3 1 0 1 o 1486.542 794.158 0.00 1.80117 0.57 3 1 0 2 o 2175.734 794.158 0.00 1.80117 0.38 3 1 2 1 o 86676.98 68620.99 44.09 1.71724 43.96 1 1 6 1 o 84180.85 67514.62 43.62 1.71634 21.30 3 1 2 2 o 80653.23 68620.99 44.09 1.71724 20.25 1 1 6 2 o 78034.66 67514.62 43.62 1.71634 9.77 3 0 3 1 o 9.830 29.003 180.00 1.69792 0.03 2 1 5 1 o 727.509 867.528 144.53 1.69748 0.50 3 0 3 2 o 25.791 29.003 180.00 1.69792 0.02 2 1 5 2 o 864.342 867.528 144.53 1.69748 0.28 2 2 4 1 o 44.546 39.148 3.41 1.64384 0.01 2 2 4 2 o 79.493 39.148 3.41 1.64384 0.01 2 0 6 1 o 515.228 249.080 180.00 1.57895 0.10 2 0 6 2 o 1035.720 249.080 180.00 1.57895 0.11 3 2 1 1 o 1484.153 281.171 121.69 1.56474 0.73 1 0 7 1 o 2039.011 395.939 180.00 1.56372 0.51 3 2 1 2 o 1240.875 281.171 121.69 1.56474 0.31 1 0 7 2 o 1754.425 395.939 180.00 1.56372 0.22 3 1 4 1 o 1610.049 1731.769 -44.17 1.52196 0.86 3 1 4 2 o 1982.760 1731.769 -44.17 1.52196 0.51 3 2 3 1 o 4009.066 2639.965 167.11 1.45839 1.73 3 0 5 1 o 295.582 151.966 180.00 1.45812 0.09 3 2 3 2 o 3689.743 2639.965 167.11 1.45839 0.80 3 0 5 2 o 259.217 151.966 180.00 1.45812 0.04 4 0 0 1 o 96370.09 111679.59 0.00 1.42395 8.33 0 0 8 1 o 89781.95 108004.24 0.00 1.42293 3.85 4 0 0 2 o 85904.68 111679.59 0.00 1.42395 3.64 0 0 8 2 o 79423.14 108004.24 0.00 1.42293 1.67 4 0 2 1 o 121.948 183.881 0.00 1.38138 0.07 2 2 6 1 o 3835.623 4700.579 1.65 1.38091 0.82 4 0 2 2 o 51.762 183.881 0.00 1.38138 0.03 2 2 6 2 o 3202.516 4700.579 1.65 1.38091 0.35 4 1 1 1 o 789.574 1161.167 128.00 1.37137 0.34 2 1 7 1 o 774.389 1307.713 166.17 1.37069 0.37 4 1 1 2 o 352.574 1161.167 128.00 1.37137 0.09 2 1 7 2 o 278.540 1307.713 166.17 1.37069 0.10 3 3 0 1 o 44.598 989.813 0.00 1.34251 0.04 1 1 8 1 o 1238.087 3690.181 -63.14 1.34166 0.25 3 3 0 2 o 365.986 989.813 0.00 1.34251 0.03 1 1 8 2 o 2239.610 3690.181 -63.14 1.34166 0.21 3 3 2 1 o 44236.92 49754.44 -44.77 1.30666 6.62 3 1 6 1 o 43892.69 48939.43 -44.30 1.30626 13.13 3 3 2 2 o 45226.18 49754.44 -44.77 1.30666 3.38 3 1 6 2 o 44522.20 48939.43 -44.30 1.30626 6.64 4 1 3 1 o 1336.777 1577.409 146.96 1.29808 0.52 3 2 5 1 o 1601.719 1883.329 -160.14 1.29789 0.62 4 1 3 2 o 1252.841 1577.409 146.96 1.29808 0.24 3 2 5 2 o 1485.561 1883.329 -160.14 1.29789 0.29 4 2 0 1 o 66.401 0.960 0.00 1.27362 0.02 4 0 4 1 o 60.813 4.965 0.00 1.27344 0.02 2 0 8 1 o 81.898 36.159 0.00 1.27289 0.02 4 2 0 2 o -5.678 0.960 0.00 1.27362 0.00 4 0 4 2 o -0.685 4.965 0.00 1.27344 0.00 2 0 8 2 o 37.442 36.159 0.00 1.27289 0.00 4 2 2 1 o 2656.800 1532.638 5.56 1.24288 0.97 4 2 2 2 o 1915.790 1532.638 5.56 1.24288 0.37 3 0 7 1 o 3910.036 2366.560 180.00 1.23508 0.64 1 0 9 1 o 984.333 501.722 180.00 1.23475 0.18 3 0 7 2 o 6104.787 2366.560 180.00 1.23508 0.49 1 0 9 2 o 1588.440 501.722 180.00 1.23475 0.14 3 3 4 1 o 4683.062 1110.146 49.34 1.21419 0.75 3 3 4 2 o 5404.118 1110.146 49.34 1.21419 0.43