#------------------------------------------------------------------------------ #$Date: 2025-07-01 13:39:59 +0300 (Tue, 01 Jul 2025) $ #$Revision: 1111 $ #$URL: svn://localhost/testcod/cif/7/20/00/7200020.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_7200020 loop_ _publ_author_name 'Gu\'nka, Piotr A.' 'Hanfland, Michael' 'Chen, Yu-Sheng' 'Zachara, Janusz' _publ_section_title ; High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph ; _journal_issue 3 _journal_name_full CrystEngComm _journal_page_first 638 _journal_page_last 644 _journal_paper_doi 10.1039/D0CE01401J _journal_volume 23 _journal_year 2021 _chemical_formula_moiety 'As2 O3' _chemical_formula_sum 'As2 O3' _chemical_formula_weight 197.84 _chemical_name_common 'claudetite I' _chemical_name_systematic ; arsenic(III) oxide ; _space_group_IT_number 14 _space_group_name_Hall '-P 2yn' _space_group_name_H-M_alt 'P 1 21/n 1' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 1 21/n 1' _audit_creation_date 2020-10-21T11:59 _audit_creation_method 'created in GSAS-II' _audit_update_record ; 2020-10-22 deposited with the CCDC. 2020-12-10 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 94.695(6) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 4.7786(7) _cell_length_b 11.9057(5) _cell_length_c 4.1994(6) _cell_measurement_pressure 1.406e7(11) _cell_measurement_temperature 293 _cell_volume 238.11(5) _computing_data_reduction Fit2D _computing_structure_refinement 'GSAS-II (Toby & Von Dreele, J. Appl. Cryst. 46, 544-549, 2013)' _diffrn_ambient_pressure 1.406e7(11) _diffrn_ambient_temperature 293 _diffrn_detector 'Mar555 flat panel' _diffrn_detector_type 'Mar555 flat panel' _diffrn_measurement_device_type 'ESRF ID09A beamline' _diffrn_radiation_monochromator Si _diffrn_radiation_polarisn_ratio 0.9900 _diffrn_radiation_probe x-ray _diffrn_radiation_wavelength 0.41421 _diffrn_source 'ESRF ID09A' _diffrn_source_type synchrotron _exptl_crystal_colour colourless _exptl_crystal_density_diffrn 5.5189 _exptl_crystal_description 'white powder' _pd_block_id 2020-10-21T11:59|clau1_015rietveld||id09a _pd_calc_method 'Rietveld Refinement' _pd_meas_number_of_points 4000 _pd_phase_name claudetiteI _pd_prep_pressure 100.0(1) _pd_prep_temperature 293 _pd_proc_info_datetime 2020-10-21T11:59 _pd_proc_ls_background_function ; Background function: "chebyschev" function with 15 terms: 726.5(20), 441(7), 68(31), -1.36(6)e3, 2.44(15)e3, 9.36(11)e3, -2.539(20)e4, -28573(25), 8.557(10)e4, 4.174(10)e4, -1.3499(17)e5, -2.929(8)e4, 1.0231(21)e5, 7.96(11)e3, -3.010(21)e4, ; _pd_proc_ls_pref_orient_corr ; Simple spherical harmonic correction Order = 6 Coefficients: 0:0:C(6,6) = -0.205(30); 0:0:C(4,4) = 0.572(29); 0:0:C(6,-2) = -0.09(3); 0:0:C(2,-2) = -0.013(18); 0:0:C(4,-4) = 0.110(26); 0:0:C(2,2) = 0.333(20); 0:0:C(4,0) = 0.055(24); 0:0:C(6,-6) = -0.35(4); 0:0:C(6,4) = 0.07(3); 0:0:C(4,2) = -0.029(24); 0:0:C(6,2) = 0.24(3); 0:0:C(6,-4) = -0.093(26); 0:0:C(6,0) = -0.16(3); 0:0:C(2,0) = 0.265(19); 0:0:C(4,-2) = -0.528(29); ; _pd_proc_ls_profile_function ; Finger-Cox-Jephcoat function parameters U, V, W, X, Y, SH/L: peak variance(Gauss) = Utan(Th)^2^+Vtan(Th)+W: peak HW(Lorentz) = X/cos(Th)+Ytan(Th); SH/L = S/L+H/L U, V, W in (centideg)^2^, X & Y in centideg 2.0(4)e3, -6(5)e1, 1.6(21), 17.7(4), 8(12), 0.002, Crystallite size in microns with "isotropic" model: parameters: Size, G/L mix 1.000, 1.000, Microstrain, "isotropic" model (10^6^ * delta Q/Q) parameters: Mustrain, G/L mix 1000.000, 1.000, ; _pd_proc_ls_prof_R_factor 0.01546 _pd_proc_ls_prof_wR_expected 0.03508 _pd_proc_ls_prof_wR_factor 0.02547 _refine_ls_goodness_of_fit_all 0.736 _refine_ls_matrix_type full _refine_ls_number_parameters 57 _refine_ls_R_Fsqd_factor 0.05581 _refine_ls_shift/su_max 0.0001 _refine_ls_wR_factor_obs 0.02549 _reflns_d_resolution_high 1.106 _reflns_d_resolution_low 5.953 _reflns_limit_h_max 4 _reflns_limit_h_min 0 _reflns_limit_k_max 10 _reflns_limit_k_min 0 _reflns_limit_l_max 3 _reflns_limit_l_min -3 _reflns_number_total 182 _cod_data_source_file d0ce01401j3.cif _cod_data_source_block clau1_015rietveld _cod_original_cell_volume 238.110(21) _cod_database_code 7200020 _refine_ls_r_f_factor 0.03495 _gsas_proc_ls_prof_r_b_factor 0.02869 _gsas_proc_ls_prof_wr_b_factor 0.05320 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 1/2-x,1/2+y,1/2-z 3 -x,-y,-z 4 1/2+x,1/2-y,1/2+z loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity As1 As 0.2840(8) 0.08812(30) 0.0617(10) 1.000 Uiso 0.0139(21) 4 As2 As 0.3274(7) 0.3574(4) 0.0236(10) 1.000 Uiso 0.0139 4 O3 O 0.434(4) 0.2213(6) 0.153(6) 1.000 Uiso 0.0139 4 O4 O 0.6594(23) 0.4143(14) 0.1501(23) 1.000 Uiso 0.0139 4 O5 O -0.0638(25) 0.1241(22) 0.1328(24) 1.000 Uiso 0.0139 4 loop_ _atom_type_symbol _atom_type_number_in_cell _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_length_neutron _atom_type_scat_source _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_dispersion_source As 8 16.6723 6.0701 3.4313 4.2779 2.6345 0.2647 12.9479 47.7972 2.531 0.658 https://subversion.xray.aps.anl.gov/pyGSAS/trunk/atmdata.py 0.283 0.775 https://subversion.xray.aps.anl.gov/pyGSAS/trunk/atmdata.py O 12 3.0485 2.2868 1.5463 0.867 13.2771 5.7011 0.3239 32.9089 0.2508 0.5805 https://subversion.xray.aps.anl.gov/pyGSAS/trunk/atmdata.py 0.002 0.002 https://subversion.xray.aps.anl.gov/pyGSAS/trunk/atmdata.py 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 O3 As1 O4 108.8(10) 1_555 1_555 4_454 yes O3 As1 O5 96.7(12) 1_555 1_555 1_555 yes O4 As1 O5 85.6(6) 4_454 1_555 1_555 yes O3 As2 O4 91.7(7) 1_555 1_555 1_555 yes O3 As2 O5 107.3(15) 1_555 1_555 4_554 yes O4 As2 O5 84.6(6) 1_555 1_555 4_554 yes As1 O3 As2 130.7(8) 1_555 1_555 1_555 yes As1 O4 As2 120.4(7) 4_555 1_555 1_555 yes As1 O5 As2 122.5(8) 1_555 1_555 4_455 yes 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 As1 O3 1.769(7) 1_555 1_555 yes As1 O4 1.782(7) 1_555 4_454 yes As1 O5 1.765(7) 1_555 1_555 yes As2 O3 1.771(7) 1_555 1_555 yes As2 O4 1.766(7) 1_555 1_555 yes As2 O5 1.775(7) 1_555 4_554 yes loop_ _pd_meas_2theta_scan _pd_meas_intensity_total _pd_calc_intensity_total _pd_proc_intensity_bkg_calc _pd_proc_ls_weight 0.00440 115.97303 0 0 0 0.01320 111.3387 0 0 0 0.02201 112.69579 0 0 0 0.03081 116.38974 0 0 0 0.03961 116.30412 0 0 0 0.04841 112.22437 0 0 0 0.05721 103.32552 0 0 0 0.06602 104.23131 0 0 0 0.07482 111.51225 0 0 0 0.08362 115.0219 0 0 0 0.09242 114.41209 0 0 0 0.10122 113.28314 0 0 0 0.11003 110.26906 0 0 0 0.11883 107.95936 0 0 0 0.12763 107.9376 0 0 0 0.13643 108.00277 0 0 0 0.14523 106.31442 0 0 0 0.15404 104.60239 0 0 0 0.16284 105.12254 0 0 0 0.17164 107.52209 0 0 0 0.18044 109.30092 0 0 0 0.18925 108.33652 0 0 0 0.19805 106.04958 0 0 0 0.20685 106.40683 0 0 0 0.21565 105.73955 0 0 0 0.22445 106.63757 0 0 0 0.23326 108.99358 0 0 0 0.24206 111.7738 0 0 0 0.25086 111.83852 0 0 0 0.25966 111.91931 0 0 0 0.26846 112.41528 0 0 0 0.27727 113.63563 0 0 0 0.28607 112.74648 0 0 0 0.29487 113.91211 0 0 0 0.30367 114.23988 0 0 0 0.31248 114.00417 0 0 0 0.32128 113.08924 0 0 0 0.33008 113.36073 0 0 0 0.33888 114.64053 0 0 0 0.34768 115.593 0 0 0 0.35649 115.71268 0 0 0 0.36529 115.2451 0 0 0 0.37409 114.12209 0 0 0 0.38289 112.7897 0 0 0 0.39169 111.77579 0 0 0 0.40050 113.00799 0 0 0 0.40930 113.30125 0 0 0 0.41810 112.13056 0 0 0 0.42690 111.24223 0 0 0 0.43570 111.65606 0 0 0 0.44451 111.8353 0 0 0 0.45331 111.10219 0 0 0 0.46211 110.43054 0 0 0 0.47091 111.89139 0 0 0 0.47972 111.82296 0 0 0 0.48852 111.50256 0 0 0 0.49732 111.07667 0 0 0 0.50612 110.72825 0 0 0 0.51492 111.17704 0 0 0 0.52373 110.77741 0 0 0 0.53253 110.3121 0 0 0 0.54133 110.63126 0 0 0 0.55013 110.40784 0 0 0 0.55893 109.66384 0 0 0 0.56774 109.14563 0 0 0 0.57654 110.28458 0 0 0 0.58534 110.71945 0 0 0 0.59414 111.13292 0 0 0 0.60295 111.82757 0 0 0 0.61175 111.29907 0 0 0 0.62055 111.25113 0 0 0 0.62935 111.2325 0 0 0 0.63815 112.3187 0 0 0 0.64696 111.19956 0 0 0 0.65576 110.94603 0 0 0 0.66456 111.3835 0 0 0 0.67336 112.27985 0 0 0 0.68216 112.40965 0 0 0 0.69097 111.2036 0 0 0 0.69977 110.41125 0 0 0 0.70857 111.62226 0 0 0 0.71737 112.7599 0 0 0 0.72617 114.05694 0 0 0 0.73498 113.97609 0 0 0 0.74378 112.99662 0 0 0 0.75258 112.01442 0 0 0 0.76138 111.52873 0 0 0 0.77019 111.40707 0 0 0 0.77899 112.14114 0 0 0 0.78779 112.41996 0 0 0 0.79659 113.05956 0 0 0 0.80539 113.13311 0 0 0 0.81420 112.89348 0 0 0 0.82300 113.20288 0 0 0 0.83180 114.35908 0 0 0 0.84060 115.1005 0 0 0 0.84940 115.8236 0 0 0 0.85821 116.57412 0 0 0 0.86701 117.04596 0 0 0 0.87581 118.29237 0 0 0 0.88461 118.01874 0 0 0 0.89342 117.69991 0 0 0 0.90222 118.18766 0 0 0 0.91102 120.58634 0 0 0 0.91982 122.86207 0 0 0 0.92862 124.77221 0 0 0 0.93743 125.00676 0 0 0 0.94623 126.09694 0 0 0 0.95503 127.35295 0 0 0 0.96383 129.23169 0 0 0 0.97263 129.57115 0 0 0 0.98144 131.92776 0 0 0 0.99024 135.0437 0 0 0 0.99904 140.68047 0 0 0 1.00784 147.13184 0 0 0 1.01664 151.9969 0 0 0 1.02545 155.90756 0 0 0 1.03425 163.95313 0 0 0 1.04305 171.10341 0 0 0 1.05185 176.01756 0 0 0 1.06066 180.23215 0 0 0 1.06946 190.74272 0 0 0 1.07826 196.62921 0 0 0 1.08706 201.43787 0 0 0 1.09586 205.72008 0 0 0 1.10467 210.88672 0 0 0 1.11347 217.25378 0 0 0 1.12227 223.10643 0 0 0 1.13107 228.54201 0 0 0 1.13987 232.58884 0 0 0 1.14868 236.98286 0 0 0 1.15748 240.26427 0 0 0 1.16628 242.66069 0 0 0 1.17508 244.41965 0 0 0 1.18389 247.05557 0 0 0 1.19269 249.72682 0 0 0 1.20149 252.80797 0 0 0 1.21029 254.28146 0 0 0 1.21909 255.64101 0 0 0 1.22790 257.11426 0 0 0 1.23670 259.86624 0 0 0 1.24550 262.20206 0 0 0 1.25430 265.3999 0 0 0 1.26310 267.16342 0 0 0 1.27191 267.49564 0 0 0 1.28071 267.01093 0 0 0 1.28951 269.00241 0 0 0 1.29831 271.95352 0 0 0 1.30711 274.05563 0 0 0 1.31592 275.87354 0 0 0 1.32472 276.85428 0 0 0 1.33352 277.95557 0 0 0 1.34232 278.1015 0 0 0 1.35113 280.04825 0 0 0 1.35993 282.60779 0 0 0 1.36873 284.86594 0 0 0 1.37753 286.66528 0 0 0 1.38633 286.6965 0 0 0 1.39514 286.9389 0 0 0 1.40394 287.81161 0 0 0 1.41274 289.81808 0 0 0 1.42154 291.74527 0 0 0 1.43034 292.21725 0 0 0 1.43915 292.90973 0 0 0 1.44795 294.71747 0 0 0 1.45675 295.83612 0 0 0 1.46555 295.60107 0 0 0 1.47436 296.20297 0 0 0 1.48316 298.34583 0 0 0 1.49196 300.59589 0 0 0 1.50076 302.17795 0 0 0 1.50956 302.36615 0 0 0 1.51837 303.18152 0 0 0 1.52717 305.09418 0 0 0 1.53597 305.66141 0 0 0 1.54477 306.17868 0 0 0 1.55357 306.71561 0 0 0 1.56238 308.18259 0 0 0 1.57118 308.63684 0 0 0 1.57998 308.50903 0 0 0 1.58878 309.31845 0 0 0 1.59758 310.09424 0 0 0 1.60639 311.05334 0 0 0 1.61519 312.14319 0 0 0 1.62399 313.38657 0 0 0 1.63279 313.86807 0 0 0 1.64160 314.57941 0 0 0 1.65040 314.64832 0 0 0 1.65920 315.1991 0 0 0 1.66800 317.79333 0 0 0 1.67680 319.46326 0 0 0 1.68561 320.34235 0 0 0 1.69441 320.58572 0 0 0 1.70321 320.36996 0 0 0 1.71201 321.50833 0 0 0 1.72081 321.68597 0 0 0 1.72962 322.65604 0 0 0 1.73842 323.31516 0 0 0 1.74722 324.62396 0 0 0 1.75602 325.05328 0 0 0 1.76483 325.83533 0 0 0 1.77363 326.25507 0 0 0 1.78243 326.84985 0 0 0 1.79123 326.3028 0 0 0 1.80003 327.01929 0 0 0 1.80884 328.46414 0 0 0 1.81764 330.54419 0 0 0 1.82644 330.73526 0 0 0 1.83524 330.51581 0 0 0 1.84404 330.52979 0 0 0 1.85285 331.02515 0 0 0 1.86165 331.25241 0 0 0 1.87045 331.46594 0 0 0 1.87925 332.79388 0 0 0 1.88805 333.58136 0 0 0 1.89686 335.24518 0 0 0 1.90566 335.62451 0 0 0 1.91446 336.28519 0 0 0 1.92326 336.56186 0 0 0 1.93207 337.6384 0 0 0 1.94087 337.20483 0 0 0 1.94967 337.88358 0 0 0 1.95847 339.04904 0 0 0 1.96727 339.85318 0 0 0 1.97608 340.23099 0 0 0 1.98488 340.98013 0 0 0 1.99368 342.0015 0 0 0 2.00248 342.67664 0 0 0 2.01128 342.64584 0 0 0 2.02009 343.36517 0 0 0 2.02889 343.79596 0 0 0 2.03769 344.41782 0 0 0 2.04649 344.91104 0 0 0 2.05530 346.50586 0 0 0 2.06410 347.92215 0 0 0 2.07290 348.02368 0 0 0 2.08170 348.68451 0 0 0 2.09050 349.14124 0 0 0 2.09931 349.45862 0 0 0 2.10811 349.85364 0 0 0 2.11691 350.46484 0 0 0 2.12571 351.40463 0 0 0 2.13451 352.7998 0 0 0 2.14332 353.55496 0 0 0 2.15212 353.71347 0 0 0 2.16092 353.75793 0 0 0 2.16972 354.11551 0 0 0 2.17852 353.87341 0 0 0 2.18733 354.11462 0 0 0 2.19613 355.51801 0 0 0 2.20493 356.2059 0 0 0 2.21373 356.5506 0 0 0 2.22254 356.98294 0 0 0 2.23134 356.65811 0 0 0 2.24014 356.13898 0 0 0 2.24894 356.07678 0 0 0 2.25774 356.38193 0 0 0 2.26655 357.16092 0 0 0 2.27535 357.9241 0 0 0 2.28415 359.79462 0 0 0 2.29295 360.59094 0 0 0 2.30175 360.34378 0 0 0 2.31056 360.54181 0 0 0 2.31936 360.50845 0 0 0 2.32816 360.50153 0 0 0 2.33696 360.91299 0 0 0 2.34576 361.89902 0 0 0 2.35457 362.49207 0 0 0 2.36337 363.93414 0 0 0 2.37217 365.47018 0 0 0 2.38097 365.89746 0 0 0 2.38978 365.89957 0 0 0 2.39858 365.83469 0 0 0 2.40738 366.44247 0 0 0 2.41618 367.05219 356.595238 356.508117 0.002724408 2.42498 367.15411 358.015168 357.927553 0.002723652 2.43379 367.44525 359.380277 359.292164 0.002721494 2.44259 367.08255 360.692326 360.603709 0.002724183 2.45139 366.95932 361.953078 361.863952 0.002725098 2.46019 367.68234 363.164169 363.074528 0.002719739 2.46899 368.58405 364.33609 364.237171 0.002713085 2.47780 368.42825 365.452924 365.353451 0.002714233 2.48660 367.76541 366.524973 366.424939 0.002719125 2.49540 368.38937 367.553736 367.453136 0.002714519 2.50420 368.828 368.554794 368.439607 0.002711291 2.51301 369.50266 369.501587 369.385774 0.00270634 2.52181 371.12756 370.409495 370.293052 0.002694491 2.53061 371.44305 371.279909 371.162828 0.002692203 2.53941 372.14053 372.114199 371.996475 0.002687157 2.54821 371.83377 372.913682 372.795307 0.002689374 2.55702 372.27866 373.679633 373.5606 0.00268616 2.56582 372.57813 374.459371 374.293581 0.002684001 2.57462 372.69711 375.162129 374.995517 0.002683144 2.58342 373.37466 375.835011 375.66757 0.002678275 2.59222 374.09506 376.479175 376.310895 0.002673117 2.60103 375.41888 377.095737 376.926611 0.002663691 2.60983 375.50156 377.685793 377.515813 0.002663105 2.61863 375.25787 378.250423 378.07958 0.002664834 2.62743 374.78632 378.790663 378.618948 0.002668187 2.63624 374.84927 379.324858 379.134919 0.002667739 2.64504 374.94788 379.81934 379.628456 0.002667037 2.65384 375.5369 380.292386 380.100548 0.002662854 2.66264 376.54312 380.744906 380.552103 0.002655738 2.67144 376.99509 381.177799 380.984022 0.002652554 2.68025 377.11459 381.591928 381.397167 0.002651714 2.68905 376.32736 381.988171 381.792415 0.002657261 2.69785 376.21188 382.367339 382.170579 0.002658077 2.70665 377.08609 382.739503 382.532455 0.002651914 2.71545 377.49097 383.087016 382.87883 0.00264907 2.72426 378.54874 383.419695 383.210443 0.002641668 2.73306 379.44299 383.738379 383.528049 0.002635442 2.74186 381.31525 384.043766 383.832346 0.002622502 2.75066 382.13126 384.336545 384.124024 0.002616902 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197.90556 0 0 0 34.79918 216.33095 0 0 0 34.80798 217.80537 0 0 0 34.81678 203.53833 0 0 0 34.82559 203.16113 0 0 0 34.83439 211.60715 0 0 0 34.84319 194.31726 0 0 0 34.85199 173.78868 0 0 0 34.86079 176.14064 0 0 0 34.86960 198.12627 0 0 0 34.87840 205.30415 0 0 0 34.88720 183.01541 0 0 0 34.89600 184.13409 0 0 0 34.90481 187.49982 0 0 0 34.91361 210.94772 0 0 0 34.92241 213.95883 0 0 0 34.93121 212.7661 0 0 0 34.94001 218.55975 0 0 0 34.94882 218.80724 0 0 0 34.95762 213.80035 0 0 0 34.96642 210.96149 0 0 0 34.97522 212.97971 0 0 0 34.98402 212.16232 0 0 0 34.99283 208.06824 0 0 0 35.00163 207.25722 0 0 0 35.01043 208.31638 0 0 0 35.01923 209.95157 0 0 0 35.02804 211.90083 0 0 0 35.03684 210.02353 0 0 0 35.04564 202.75928 0 0 0 35.05444 205.11824 0 0 0 35.06324 212.80656 0 0 0 35.07205 211.18062 0 0 0 35.08085 201.46068 0 0 0 35.08965 200.18391 0 0 0 35.09845 203.39186 0 0 0 35.10725 201.35805 0 0 0 35.11606 195.51189 0 0 0 35.12486 198.6909 0 0 0 35.13366 214.57098 0 0 0 35.14246 218.79665 0 0 0 35.15126 212.29727 0 0 0 35.16007 205.73442 0 0 0 35.16887 204.32521 0 0 0 35.17767 208.79582 0 0 0 35.18647 213.8922 0 0 0 35.19528 214.23019 0 0 0 35.20408 208.38385 0 0 0 loop_ _gsas_i100_meas 2.04 23.65 5.71 2.92 4.56 1.61 60.86 17.02 30.46 100.00 36.59 20.35 0.19 0.53 17.75 84.51 0.45 52.96 30.11 40.38 7.46 0.54 2.43 9.20 1.55 45.38 6.54 33.51 8.35 0.67 4.24 0.45 0.00 7.84 1.38 0.17 2.78 2.66 11.89 25.81 16.85 4.43 8.50 0.06 2.31 0.05 0.33 0.86 20.18 0.22 5.34 7.99 10.05 0.75 4.30 8.28 0.95 9.48 6.14 0.00 10.83 28.80 0.55 0.01 4.66 1.53 3.43 3.91 0.88 0.02 2.47 1.28 2.03 7.03 0.93 2.85 0.10 5.09 3.88 0.23 1.39 3.86 0.01 5.03 0.07 10.34 26.80 12.82 2.86 0.33 1.77 4.68 2.05 0.35 0.66 2.21 8.74 0.65 1.90 4.48 0.23 0.10 1.59 1.37 0.14 0.40 12.05 0.60 3.14 6.88 14.39 0.59 3.39 9.19 3.96 5.35 0.39 0.22 0.00 0.78 1.39 0.17 0.27 3.68 0.01 1.82 12.93 1.11 3.01 0.13 0.26 0.45 0.04 0.04 2.18 4.03 0.62 0.18 0.08 0.22 1.21 0.34 0.24 9.81 10.68 0.16 0.74 0.06 0.00 5.16 1.22 2.82 0.04 0.28 0.46 2.08 0.71 4.48 6.74 0.03 1.58 5.35 0.43 0.25 1.08 1.56 0.00 0.57 0.04 3.20 1.56 1.13 1.28 0.01 0.46 0.05 0.24 0.47 0.57 0.03 0.08 0.62