#------------------------------------------------------------------------------ #$Date: 2025-07-01 13:39:59 +0300 (Tue, 01 Jul 2025) $ #$Revision: 1111 $ #$URL: svn://localhost/testcod/cif/7/20/00/7200016.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_7200016 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 2020-10-21T15:18 _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 94.5756(23) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.07859(27) _cell_length_b 12.4595(4) _cell_length_c 4.41318(20) _cell_measurement_pressure 3.55e6(5) _cell_measurement_temperature 293 _cell_volume 278.36(2) _computing_data_reduction Fit2D _computing_structure_refinement 'GSAS-II (Toby & Von Dreele, J. Appl. Cryst. 46, 544-549, 2013)' _diffrn_ambient_pressure 3.55e6(5) _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 4.7208 _exptl_crystal_description 'white powder' _pd_block_id 2020-10-21T15:18|clau1_029rietveld||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 2020-10-21T15:18 _pd_proc_ls_background_function ; Background function: "chebyschev" function with 20 terms: 764.1(6), 297(4), 569(16), 4.26(6)e3, -1.557(11)e4, -5.710(30)e4, 1.5029(25)e5, 3.315(5)e5, -7.2673(9)e5, -1.05190(7)e6, 1.97033(22)e6, 1.9913(5)e6, -3.14721(7)e6, -2.31231(26)e6, 2.94678(20)e6, 1.6149(3)e6, -1.49795(23)e6, -6.219(5)e5, 3.1940(23)e5, 1.013(5)e5, ; _pd_proc_ls_pref_orient_corr ; Simple spherical harmonic correction Order = 6 Coefficients: 0:0:C(6,6) = -0.085(18); 0:0:C(4,4) = 0.095(22); 0:0:C(6,-2) = 0.091(23); 0:0:C(2,-2) = -0.012(11); 0:0:C(4,-4) = -0.029(18); 0:0:C(2,2) = 0.505(13); 0:0:C(4,0) = -0.312(17); 0:0:C(6,-6) = -0.221(23); 0:0:C(6,4) = -0.054(22); 0:0:C(4,2) = -0.130(18); 0:0:C(6,2) = -0.196(21); 0:0:C(6,-4) = 0.153(19); 0:0:C(6,0) = -0.078(22); 0:0:C(2,0) = -0.118(12); 0:0:C(4,-2) = -0.113(15); ; _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 1.09(10)e3, -210(16), 11.1(8), 1.76(29), 34(4), 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 0.00600 _pd_proc_ls_prof_wR_expected 0.03573 _pd_proc_ls_prof_wR_factor 0.00981 _refine_ls_goodness_of_fit_all 0.279 _refine_ls_matrix_type full _refine_ls_number_parameters 62 _refine_ls_R_Fsqd_factor 0.05251 _refine_ls_shift/su_max 0.0007 _refine_ls_wR_factor_obs 0.00982 _reflns_d_resolution_high 1.074 _reflns_d_resolution_low 6.230 _reflns_limit_h_max 4 _reflns_limit_h_min 0 _reflns_limit_k_max 11 _reflns_limit_k_min 0 _reflns_limit_l_max 4 _reflns_limit_l_min -4 _reflns_number_total 233 _cod_data_source_file d0ce01401j3.cif _cod_data_source_block clau1_029rietveld _cod_original_cell_volume 278.360(11) _cod_database_code 7200016 _refine_ls_r_f_factor 0.03257 _gsas_proc_ls_prof_r_b_factor 0.01157 _gsas_proc_ls_prof_wr_b_factor 0.02416 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 0.2722(8) 0.09360(23) 0.0456(6) 1.000 Uiso 0.0061(14) 4 As2 As 0.3459(6) 0.35536(28) 0.0090(6) 1.000 Uiso 0.0061 4 O3 O 0.4274(20) 0.2204(3) 0.099(3) 1.000 Uiso 0.0061 4 O4 O 0.6504(16) 0.4098(11) 0.1592(11) 1.000 Uiso 0.0061 4 O5 O -0.0517(14) 0.1248(17) 0.1384(12) 1.000 Uiso 0.0061 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 105.5(7) 1_555 1_555 4_454 yes O3 As1 O5 100.7(8) 1_555 1_555 1_555 yes O4 As1 O5 88.2(3) 4_454 1_555 1_555 yes O3 As2 O4 95.6(5) 1_555 1_555 1_555 yes O3 As2 O5 105.1(10) 1_555 1_555 4_554 yes O4 As2 O5 88.8(4) 1_555 1_555 4_554 yes As1 O3 As2 136.3(5) 1_555 1_555 1_555 yes As1 O4 As2 125.5(4) 4_555 1_555 1_555 yes As1 O5 As2 126.2(4) 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 1.7725(27) 1_555 1_555 yes As1 O4 1.7678(27) 1_555 4_454 yes As1 O5 1.7694(27) 1_555 1_555 yes As2 O3 1.7701(27) 1_555 1_555 yes As2 O4 1.7685(27) 1_555 1_555 yes As2 O5 1.7731(27) 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 100.75845 0 0 0 0.01321 110.62768 0 0 0 0.02202 109.40588 0 0 0 0.03083 109.69585 0 0 0 0.03963 110.99357 0 0 0 0.04844 110.91217 0 0 0 0.05725 107.62251 0 0 0 0.06605 106.5927 0 0 0 0.07486 107.58067 0 0 0 0.08367 108.31599 0 0 0 0.09248 108.42114 0 0 0 0.10128 106.03639 0 0 0 0.11009 107.02193 0 0 0 0.11890 107.33437 0 0 0 0.12770 106.86934 0 0 0 0.13651 107.37309 0 0 0 0.14532 107.54374 0 0 0 0.15413 107.28796 0 0 0 0.16293 106.91314 0 0 0 0.17174 106.59943 0 0 0 0.18055 106.10571 0 0 0 0.18935 105.31667 0 0 0 0.19816 103.71181 0 0 0 0.20697 104.49519 0 0 0 0.21578 105.45851 0 0 0 0.22458 106.37366 0 0 0 0.23339 107.92869 0 0 0 0.24220 109.30499 0 0 0 0.25100 110.10573 0 0 0 0.25981 109.63831 0 0 0 0.26862 109.33415 0 0 0 0.27743 109.09738 0 0 0 0.28623 109.96307 0 0 0 0.29504 110.36289 0 0 0 0.30385 110.43073 0 0 0 0.31265 110.31303 0 0 0 0.32146 109.70024 0 0 0 0.33027 108.73019 0 0 0 0.33908 108.15937 0 0 0 0.34788 108.45841 0 0 0 0.35669 107.88749 0 0 0 0.36550 109.00582 0 0 0 0.37430 110.13367 0 0 0 0.38311 110.66382 0 0 0 0.39192 109.92699 0 0 0 0.40073 110.39819 0 0 0 0.40953 110.60381 0 0 0 0.41834 111.22238 0 0 0 0.42715 112.22823 0 0 0 0.43595 112.60011 0 0 0 0.44476 111.07389 0 0 0 0.45357 109.72212 0 0 0 0.46238 108.3295 0 0 0 0.47118 108.33279 0 0 0 0.47999 108.56266 0 0 0 0.48880 109.01538 0 0 0 0.49760 109.24879 0 0 0 0.50641 109.83434 0 0 0 0.51522 109.28172 0 0 0 0.52403 109.19344 0 0 0 0.53283 108.37974 0 0 0 0.54164 107.86329 0 0 0 0.55045 108.06152 0 0 0 0.55926 108.59525 0 0 0 0.56806 108.74227 0 0 0 0.57687 108.7486 0 0 0 0.58568 108.42285 0 0 0 0.59448 108.23148 0 0 0 0.60329 107.73553 0 0 0 0.61210 107.06027 0 0 0 0.62091 107.55668 0 0 0 0.62971 108.36401 0 0 0 0.63852 108.75269 0 0 0 0.64733 109.65694 0 0 0 0.65613 110.78925 0 0 0 0.66494 111.24673 0 0 0 0.67375 111.19603 0 0 0 0.68256 110.66197 0 0 0 0.69136 110.83573 0 0 0 0.70017 111.63578 0 0 0 0.70898 111.56534 0 0 0 0.71778 110.90141 0 0 0 0.72659 110.20465 0 0 0 0.73540 109.43844 0 0 0 0.74421 109.4985 0 0 0 0.75301 109.94555 0 0 0 0.76182 110.23193 0 0 0 0.77063 110.87274 0 0 0 0.77943 111.67504 0 0 0 0.78824 111.69198 0 0 0 0.79705 111.07571 0 0 0 0.80586 111.11874 0 0 0 0.81466 110.88461 0 0 0 0.82347 112.46339 0 0 0 0.83228 113.77583 0 0 0 0.84108 114.59903 0 0 0 0.84989 115.62339 0 0 0 0.85870 115.34979 0 0 0 0.86751 115.69702 0 0 0 0.87631 116.03985 0 0 0 0.88512 117.0688 0 0 0 0.89393 118.39039 0 0 0 0.90273 119.17799 0 0 0 0.91154 120.29529 0 0 0 0.92035 121.91985 0 0 0 0.92916 121.56551 0 0 0 0.93796 121.49149 0 0 0 0.94677 120.31722 0 0 0 0.95558 119.39126 0 0 0 0.96438 117.4484 0 0 0 0.97319 118.61462 0 0 0 0.98200 120.63895 0 0 0 0.99081 123.84518 0 0 0 0.99961 125.931 0 0 0 1.00842 128.74002 0 0 0 1.01723 135.41801 0 0 0 1.02604 138.17719 0 0 0 1.03484 145.31287 0 0 0 1.04365 155.64018 0 0 0 1.05246 168.62816 0 0 0 1.06126 173.51508 0 0 0 1.07007 183.24454 0 0 0 1.07888 188.02678 0 0 0 1.08769 192.70276 0 0 0 1.09649 198.8213 0 0 0 1.10530 206.37006 0 0 0 1.11411 215.25081 0 0 0 1.12291 221.61661 0 0 0 1.13172 226.93608 0 0 0 1.14053 229.89061 0 0 0 1.14934 233.21228 0 0 0 1.15814 237.34462 0 0 0 1.16695 239.93504 0 0 0 1.17576 241.33112 0 0 0 1.18456 242.92418 0 0 0 1.19337 246.54175 0 0 0 1.20218 249.16672 0 0 0 1.21099 250.21651 0 0 0 1.21979 252.69705 0 0 0 1.22860 255.16264 0 0 0 1.23741 257.82544 0 0 0 1.24621 259.09204 0 0 0 1.25502 260.73001 0 0 0 1.26383 263.03229 0 0 0 1.27264 266.51035 0 0 0 1.28144 268.14215 0 0 0 1.29025 270.11221 0 0 0 1.29906 271.414 0 0 0 1.30786 272.74707 0 0 0 1.31667 272.43729 0 0 0 1.32548 273.55313 0 0 0 1.33429 276.11404 0 0 0 1.34309 278.5903 0 0 0 1.35190 278.97681 0 0 0 1.36071 279.93207 0 0 0 1.36951 281.01053 0 0 0 1.37832 282.75214 0 0 0 1.38713 283.86115 0 0 0 1.39594 285.32477 0 0 0 1.40474 286.18869 0 0 0 1.41355 287.10849 0 0 0 1.42236 288.06326 0 0 0 1.43116 289.8877 0 0 0 1.43997 291.67068 0 0 0 1.44878 292.9064 0 0 0 1.45759 293.76559 0 0 0 1.46639 294.41879 0 0 0 1.47520 296.59479 0 0 0 1.48401 297.81161 0 0 0 1.49281 299.72321 0 0 0 1.50162 300.18961 0 0 0 1.51043 300.66223 0 0 0 1.51924 302.28802 0 0 0 1.52804 303.9614 0 0 0 1.53685 304.1524 0 0 0 1.54566 303.57166 0 0 0 1.55446 304.9671 0 0 0 1.56327 306.08435 0 0 0 1.57208 306.64548 0 0 0 1.58089 308.12076 0 0 0 1.58969 309.12933 0 0 0 1.59850 310.29495 0 0 0 1.60731 312.21082 0 0 0 1.61612 313.66327 0 0 0 1.62492 313.67932 0 0 0 1.63373 314.99185 0 0 0 1.64254 316.03107 0 0 0 1.65134 317.16022 0 0 0 1.66015 317.88321 0 0 0 1.66896 318.10776 0 0 0 1.67777 316.94052 0 0 0 1.68657 317.72974 0 0 0 1.69538 318.63385 0 0 0 1.70419 319.07254 0 0 0 1.71299 319.65045 0 0 0 1.72180 320.73267 0 0 0 1.73061 321.29028 0 0 0 1.73942 322.66498 0 0 0 1.74822 324.34271 0 0 0 1.75703 325.81647 0 0 0 1.76584 326.05722 0 0 0 1.77464 326.19681 0 0 0 1.78345 326.36609 0 0 0 1.79226 327.33981 0 0 0 1.80107 328.45157 0 0 0 1.80987 329.78818 0 0 0 1.81868 330.83304 0 0 0 1.82749 330.96793 0 0 0 1.83629 332.26303 0 0 0 1.84510 332.21997 0 0 0 1.85391 332.06985 0 0 0 1.86272 331.86603 0 0 0 1.87152 333.76355 0 0 0 1.88033 334.89963 0 0 0 1.88914 335.06747 0 0 0 1.89794 335.733 0 0 0 1.90675 337.54041 0 0 0 1.91556 338.73251 0 0 0 1.92437 338.78897 0 0 0 1.93317 339.59833 0 0 0 1.94198 339.93262 0 0 0 1.95079 340.88605 0 0 0 1.95959 341.54132 0 0 0 1.96840 342.38651 0 0 0 1.97721 341.43564 0 0 0 1.98602 342.02594 0 0 0 1.99482 343.37051 0 0 0 2.00363 344.00229 0 0 0 2.01244 344.46686 0 0 0 2.02124 345.49713 0 0 0 2.03005 345.62421 0 0 0 2.03886 345.84439 0 0 0 2.04767 346.36423 0 0 0 2.05647 347.27109 0 0 0 2.06528 348.19067 0 0 0 2.07409 348.58121 0 0 0 2.08289 349.05484 0 0 0 2.09170 350.1001 0 0 0 2.10051 351.25757 0 0 0 2.10932 352.04349 0 0 0 2.11812 351.90976 0 0 0 2.12693 352.10992 0 0 0 2.13574 353.00003 0 0 0 2.14455 352.94528 0 0 0 2.15335 352.6705 0 0 0 2.16216 353.81949 0 0 0 2.17097 354.86224 0 0 0 2.17977 355.0264 0 0 0 2.18858 354.45718 0 0 0 2.19739 355.49731 0 0 0 2.20620 356.99313 0 0 0 2.21500 358.06564 0 0 0 2.22381 358.55594 0 0 0 2.23262 358.85309 0 0 0 2.24142 359.55353 0 0 0 2.25023 360.47989 0 0 0 2.25904 360.60416 0 0 0 2.26785 360.97861 0 0 0 2.27665 361.07208 0 0 0 2.28546 361.63702 0 0 0 2.29427 362.23886 0 0 0 2.30307 363.52841 0 0 0 2.31188 363.6329 0 0 0 2.32069 363.53171 0 0 0 2.32950 363.79153 0 0 0 2.33830 364.41083 0 0 0 2.34711 364.35654 0 0 0 2.35592 364.43423 0 0 0 2.36472 365.19165 0 0 0 2.37353 366.09033 0 0 0 2.38234 366.94894 0 0 0 2.39115 367.50989 0 0 0 2.39995 367.63217 0 0 0 2.40876 368.87842 0 0 0 2.41757 369.62979 0 0 0 2.42637 369.64209 0 0 0 2.43518 369.79062 0 0 0 2.44399 370.16016 0 0 0 2.45280 370.23254 0 0 0 2.46160 370.20154 0 0 0 2.47041 370.89899 0 0 0 2.47922 371.83383 0 0 0 2.48802 372.38867 0 0 0 2.49683 372.77155 0 0 0 2.50564 374.02359 0 0 0 2.51445 374.11099 0 0 0 2.52325 374.6626 0 0 0 2.53206 375.08716 0 0 0 2.54087 375.04828 0 0 0 2.54967 374.52151 0 0 0 2.55848 375.6008 0 0 0 2.56729 376.13785 0 0 0 2.57610 376.34857 0 0 0 2.58490 376.93185 0 0 0 2.59371 377.49939 0 0 0 2.60252 377.30475 0 0 0 2.61132 377.8598 0 0 0 2.62013 378.64902 0 0 0 2.62894 379.73895 0 0 0 2.63775 380.00516 0 0 0 2.64655 380.64459 0 0 0 2.65536 380.29605 0 0 0 2.66417 380.81998 0 0 0 2.67298 381.15921 0 0 0 2.68178 382.11514 0 0 0 2.69059 382.66177 0 0 0 2.69940 383.05887 0 0 0 2.70820 382.92065 0 0 0 2.71701 382.67871 0 0 0 2.72582 383.46268 0 0 0 2.73463 384.07364 0 0 0 2.74343 384.65372 0 0 0 2.75224 384.73608 0 0 0 2.76105 384.51599 0 0 0 2.76985 384.42838 0 0 0 2.77866 384.43869 0 0 0 2.78747 385.50772 0 0 0 2.79628 385.92923 0 0 0 2.80508 386.0506 0 0 0 2.81389 386.3812 0 0 0 2.82270 387.22983 0 0 0 2.83150 387.57712 0 0 0 2.84031 387.58322 0 0 0 2.84912 387.7106 0 0 0 2.85793 388.77673 0 0 0 2.86673 390.0437 0 0 0 2.87554 389.73416 0 0 0 2.88435 390.04166 0 0 0 2.89315 390.39496 0 0 0 2.90196 390.7785 0 0 0 2.91077 391.18732 0 0 0 2.91958 391.58624 0 0 0 2.92838 392.10654 0 0 0 2.93719 391.492 0 0 0 2.94600 391.60825 0 0 0 2.95480 391.92194 0 0 0 2.96361 392.74655 0 0 0 2.97242 392.81161 0 0 0 2.98123 393.08881 0 0 0 2.99003 392.82016 0 0 0 2.99884 393.1409 0 0 0 3.00765 393.64856 0 0 0 3.01645 393.96375 0 0 0 3.02526 394.1452 398.817464 398.781879 0.002537136 3.03407 393.66098 398.449874 398.414004 0.002540257 3.04288 394.12589 398.140808 398.104649 0.00253726 3.05168 395.22906 397.886891 397.85044 0.002530178 3.06049 396.86008 397.68489 397.648143 0.00251978 3.06930 398.22809 397.531705 397.494659 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199.92276 0 0 0 34.58134 198.9335 0 0 0 34.59015 201.00543 0 0 0 34.59895 196.05974 0 0 0 34.60776 195.92818 0 0 0 34.61657 200.86586 0 0 0 34.62538 200.57002 0 0 0 34.63418 195.01907 0 0 0 34.64299 200.32114 0 0 0 34.65180 205.33592 0 0 0 34.66060 212.54164 0 0 0 34.66941 213.98882 0 0 0 34.67822 213.13672 0 0 0 34.68703 212.11871 0 0 0 34.69583 217.36055 0 0 0 34.70464 216.27249 0 0 0 34.71345 193.96979 0 0 0 34.72226 191.03625 0 0 0 34.73106 199.93474 0 0 0 34.73987 207.92387 0 0 0 34.74868 210.56979 0 0 0 34.75748 199.57011 0 0 0 34.76629 184.39293 0 0 0 34.77510 191.48283 0 0 0 34.78390 219.40778 0 0 0 34.79271 232.43886 0 0 0 34.80152 229.63333 0 0 0 34.81033 222.59169 0 0 0 34.81913 217.2393 0 0 0 34.82794 213.94931 0 0 0 34.83675 200.67918 0 0 0 34.84555 186.25526 0 0 0 34.85436 192.06573 0 0 0 34.86317 204.49043 0 0 0 34.87197 210.25182 0 0 0 34.88078 202.04889 0 0 0 34.88959 217.88452 0 0 0 34.89840 225.83876 0 0 0 34.90720 213.13416 0 0 0 34.91601 203.75783 0 0 0 34.92482 218.4384 0 0 0 34.93363 239.34731 0 0 0 34.94243 242.68674 0 0 0 34.95124 224.15596 0 0 0 34.96005 215.29059 0 0 0 34.96886 218.56409 0 0 0 34.97766 212.22882 0 0 0 34.98647 208.59009 0 0 0 34.99528 208.97084 0 0 0 35.00409 208.81303 0 0 0 35.01289 209.1967 0 0 0 35.02170 208.60027 0 0 0 35.03051 206.28796 0 0 0 35.03931 205.29266 0 0 0 35.04812 210.80118 0 0 0 35.05693 209.13496 0 0 0 35.06573 208.85501 0 0 0 35.07454 208.71909 0 0 0 35.08335 216.05731 0 0 0 35.09215 219.55164 0 0 0 35.10096 219.55667 0 0 0 35.10977 208.37512 0 0 0 35.11858 207.1613 0 0 0 35.12738 209.78471 0 0 0 35.13619 212.72334 0 0 0 35.14500 219.63422 0 0 0 35.15380 226.94037 0 0 0 35.16261 226.32632 0 0 0 35.17142 224.26614 0 0 0 35.18023 222.20448 0 0 0 35.18903 213.5089 0 0 0 35.19784 204.08681 0 0 0 35.20665 211.53529 0 0 0 35.21545 207.94527 0 0 0 35.22426 193.67473 0 0 0 loop_ _gsas_i100_meas 0.07 30.01 8.18 7.30 6.35 12.82 87.93 22.96 44.37 48.97 100.00 1.26 19.11 4.25 32.76 58.72 0.00 65.83 14.38 27.83 5.37 2.62 4.10 3.27 6.50 49.96 7.79 19.96 3.58 1.20 0.15 0.74 0.00 8.29 2.89 2.52 0.19 1.27 9.70 17.09 12.08 3.15 1.58 3.20 0.10 0.89 4.62 2.01 35.61 0.96 11.93 3.55 11.98 0.00 10.39 8.52 5.68 8.62 6.88 0.81 0.05 16.26 17.65 0.01 8.39 2.69 5.42 0.85 5.23 4.74 0.02 2.71 18.02 4.67 0.15 3.60 0.97 2.47 1.96 4.23 8.55 2.90 0.01 6.24 0.04 5.63 16.27 0.21 20.95 2.82 2.32 2.09 0.28 0.01 0.10 2.89 0.28 2.76 12.96 4.20 0.00 6.51 4.18 0.26 0.55 6.70 0.24 0.20 1.75 3.50 7.00 14.05 18.54 8.63 2.64 6.93 2.18 0.15 0.06 0.06 3.61 0.27 1.01 2.05 0.02 2.29 4.01 9.93 3.33 11.97 1.59 0.70 0.04 8.90 0.08 4.71 0.16 0.80 0.83 1.41 0.11 1.50 0.00 1.85 3.43 10.47 0.75 8.99 0.05 1.99 13.37 0.03 0.15 0.76 3.23 0.00 2.55 4.75 0.56 7.19 0.72 0.34 2.69 0.04 1.38 1.32 3.06 1.18 0.05 0.06 3.11 0.59 0.93 1.32 3.26 4.17 1.81 0.06 0.01 0.71 0.49 0.03 1.99 1.50 0.11 0.28 0.50 0.65 0.53 0.26 0.02 0.26 0.43 3.51 2.82 1.15 6.95 0.00 0.73 0.46 7.89 1.35 0.77 0.63 1.36 0.49 0.86 0.00 2.75 2.25 1.14 2.17 0.53 1.23 2.17 2.65 4.56 0.20 0.65 1.77 1.40 0.02 1.00 1.73 0.10 0.00 0.12 3.12 3.28 0.29 0.20 1.77 0.70