#------------------------------------------------------------------------------ #$Date: 2025-07-01 13:39:59 +0300 (Tue, 01 Jul 2025) $ #$Revision: 1111 $ #$URL: svn://localhost/testcod/cif/7/20/00/7200022.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_7200022 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 2020-10-21T15:05 _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 94.6883(26) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 4.8132(4) _cell_length_b 11.9681(6) _cell_length_c 4.23271(23) _cell_measurement_pressure 1.184e7(19) _cell_measurement_temperature 293 _cell_volume 243.01(3) _computing_data_reduction Fit2D _computing_structure_refinement 'GSAS-II (Toby & Von Dreele, J. Appl. Cryst. 46, 544-549, 2013)' _diffrn_ambient_pressure 1.184e7(19) _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 5.4075 _exptl_crystal_description 'white powder' _pd_block_id 2020-10-21T15:05|clau1_027rietveld||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 2020-10-21T15:05 _pd_proc_ls_background_function ; Background function: "chebyschev" function with 30 terms: 757.3(8), 437(3), -924(13), 2495(21), 6.047(6)e4, -1.4151(3)e5, -1.51597(6)e6, 2.963162(18)e6, 1.987431(5)e7, -3.5144462(17)e7, -1.55538675(18)e8, 2.59326041(28)e8, 7.8418561(6)e8, -1.257007300(26)e9, -2.67325090(6)e9, 4.158728834(14)e9, 6.33987878(3)e9, -9.619850238(13)e9, -1.0591081327(19)e10, 1.5721493143(24)e10, 1.242747235(6)e10, -1.808398084(3)e10, -1.003039573(8)e10, 1.4330851165(30)e10, 5.30458867(6)e9, -7.451055668(17)e9, -1.655409655(10)e9, 2.288653008(13)e9, 2.3113289(11)e8, -3.1483797(5)e8, ; _pd_proc_ls_pref_orient_corr ; Simple spherical harmonic correction Order = 6 Coefficients: 0:0:C(6,6) = -0.022(23); 0:0:C(4,4) = 0.133(23); 0:0:C(6,-2) = -0.143(30); 0:0:C(2,-2) = 0.050(14); 0:0:C(4,-4) = -0.152(20); 0:0:C(2,2) = 0.561(16); 0:0:C(4,0) = -0.319(17); 0:0:C(6,-6) = -0.125(29); 0:0:C(6,4) = -0.027(26); 0:0:C(4,2) = -0.261(22); 0:0:C(6,2) = -0.213(28); 0:0:C(6,-4) = 0.155(22); 0:0:C(6,0) = -0.029(24); 0:0:C(2,0) = -0.411(15); 0:0:C(4,-2) = -0.195(20); ; _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 5.92(32)e3, -9.9(5)e2, 43.6(21), 1.63(28), 10(7), 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 0.00778 _pd_proc_ls_prof_wR_expected 0.03584 _pd_proc_ls_prof_wR_factor 0.01282 _refine_ls_goodness_of_fit_all 0.364 _refine_ls_matrix_type full _refine_ls_number_parameters 72 _refine_ls_R_Fsqd_factor 0.04996 _refine_ls_shift/su_max 0.0018 _refine_ls_wR_factor_obs 0.01284 _reflns_d_resolution_high 1.061 _reflns_d_resolution_low 5.984 _reflns_limit_h_max 4 _reflns_limit_h_min 0 _reflns_limit_k_max 11 _reflns_limit_k_min 0 _reflns_limit_l_max 3 _reflns_limit_l_min -3 _reflns_number_total 211 _cod_data_source_file d0ce01401j3.cif _cod_data_source_block clau1_027rietveld _cod_original_cell_volume 243.011(13) _cod_database_code 7200022 _refine_ls_r_f_factor 0.02898 _gsas_proc_ls_prof_r_b_factor 0.01511 _gsas_proc_ls_prof_wr_b_factor 0.02650 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 0.2774(8) 0.08967(29) 0.0646(6) 1.000 Uiso 0.0132(15) 4 As2 As 0.3342(6) 0.35738(31) 0.0212(6) 1.000 Uiso 0.0132 4 O3 O 0.4432(26) 0.2206(4) 0.132(5) 1.000 Uiso 0.0132 4 O4 O 0.6701(17) 0.4064(13) 0.1540(12) 1.000 Uiso 0.0132 4 O5 O -0.0690(18) 0.1245(20) 0.1315(13) 1.000 Uiso 0.0132 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 103.0(8) 1_555 1_555 4_454 yes O3 As1 O5 100.6(9) 1_555 1_555 1_555 yes O4 As1 O5 87.0(3) 4_454 1_555 1_555 yes O3 As2 O4 88.8(6) 1_555 1_555 1_555 yes O3 As2 O5 105.4(13) 1_555 1_555 4_554 yes O4 As2 O5 87.2(3) 1_555 1_555 4_554 yes As1 O3 As2 131.0(5) 1_555 1_555 1_555 yes As1 O4 As2 120.4(4) 4_555 1_555 1_555 yes As1 O5 As2 120.3(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 1.771(4) 1_555 1_555 yes As1 O4 1.773(4) 1_555 4_454 yes As1 O5 1.764(4) 1_555 1_555 yes As2 O3 1.769(4) 1_555 1_555 yes As2 O4 1.768(4) 1_555 1_555 yes As2 O5 1.764(3) 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 103.25751 0 0 0 0.01321 102.28456 0 0 0 0.02202 103.04376 0 0 0 0.03083 104.61001 0 0 0 0.03963 107.46778 0 0 0 0.04844 107.33276 0 0 0 0.05725 106.83067 0 0 0 0.06605 104.47218 0 0 0 0.07486 103.87454 0 0 0 0.08367 104.07042 0 0 0 0.09248 107.67664 0 0 0 0.10128 107.97104 0 0 0 0.11009 107.52776 0 0 0 0.11890 107.38968 0 0 0 0.12770 108.15184 0 0 0 0.13651 107.63982 0 0 0 0.14532 105.63305 0 0 0 0.15413 105.54679 0 0 0 0.16293 107.08823 0 0 0 0.17174 106.32034 0 0 0 0.18055 104.55627 0 0 0 0.18935 105.25639 0 0 0 0.19816 107.38245 0 0 0 0.20697 107.66943 0 0 0 0.21578 106.0635 0 0 0 0.22458 105.86882 0 0 0 0.23339 105.44197 0 0 0 0.24220 105.73789 0 0 0 0.25100 105.78696 0 0 0 0.25981 106.6093 0 0 0 0.26862 107.86678 0 0 0 0.27743 109.78008 0 0 0 0.28623 109.34679 0 0 0 0.29504 108.70036 0 0 0 0.30385 108.51204 0 0 0 0.31265 109.48978 0 0 0 0.32146 110.99658 0 0 0 0.33027 110.71258 0 0 0 0.33908 109.79755 0 0 0 0.34788 109.45529 0 0 0 0.35669 109.56208 0 0 0 0.36550 110.20644 0 0 0 0.37430 109.36295 0 0 0 0.38311 109.63167 0 0 0 0.39192 109.81776 0 0 0 0.40073 109.7919 0 0 0 0.40953 110.57158 0 0 0 0.41834 111.16167 0 0 0 0.42715 111.48033 0 0 0 0.43595 110.63615 0 0 0 0.44476 109.94481 0 0 0 0.45357 110.09104 0 0 0 0.46238 110.25334 0 0 0 0.47118 110.46773 0 0 0 0.47999 110.62341 0 0 0 0.48880 110.1347 0 0 0 0.49760 108.91467 0 0 0 0.50641 108.44211 0 0 0 0.51522 108.06131 0 0 0 0.52403 108.97404 0 0 0 0.53283 109.56189 0 0 0 0.54164 110.5862 0 0 0 0.55045 110.69359 0 0 0 0.55926 111.81046 0 0 0 0.56806 111.32826 0 0 0 0.57687 110.76145 0 0 0 0.58568 110.87108 0 0 0 0.59448 110.93934 0 0 0 0.60329 111.08036 0 0 0 0.61210 110.4327 0 0 0 0.62091 110.36536 0 0 0 0.62971 110.2319 0 0 0 0.63852 111.36856 0 0 0 0.64733 111.12677 0 0 0 0.65613 110.2448 0 0 0 0.66494 109.70839 0 0 0 0.67375 110.81445 0 0 0 0.68256 111.0239 0 0 0 0.69136 110.55878 0 0 0 0.70017 110.47836 0 0 0 0.70898 111.85857 0 0 0 0.71778 112.24808 0 0 0 0.72659 112.06478 0 0 0 0.73540 110.85984 0 0 0 0.74421 110.53892 0 0 0 0.75301 110.09089 0 0 0 0.76182 110.25092 0 0 0 0.77063 111.44897 0 0 0 0.77943 113.15509 0 0 0 0.78824 113.2307 0 0 0 0.79705 112.26369 0 0 0 0.80586 111.54126 0 0 0 0.81466 112.26803 0 0 0 0.82347 112.29743 0 0 0 0.83228 113.69966 0 0 0 0.84108 114.28371 0 0 0 0.84989 114.58829 0 0 0 0.85870 113.31747 0 0 0 0.86751 112.67747 0 0 0 0.87631 113.72259 0 0 0 0.88512 115.33119 0 0 0 0.89393 116.98262 0 0 0 0.90273 118.63271 0 0 0 0.91154 120.44866 0 0 0 0.92035 120.91088 0 0 0 0.92916 122.02781 0 0 0 0.93796 122.56741 0 0 0 0.94677 124.8516 0 0 0 0.95558 126.64626 0 0 0 0.96438 129.17378 0 0 0 0.97319 130.28075 0 0 0 0.98200 132.58113 0 0 0 0.99081 135.88786 0 0 0 0.99961 139.76718 0 0 0 1.00842 143.18291 0 0 0 1.01723 145.39932 0 0 0 1.02604 146.8894 0 0 0 1.03484 154.03857 0 0 0 1.04365 163.49516 0 0 0 1.05246 172.45256 0 0 0 1.06126 180.01846 0 0 0 1.07007 190.89146 0 0 0 1.07888 194.37753 0 0 0 1.08769 197.18446 0 0 0 1.09649 203.45024 0 0 0 1.10530 210.35477 0 0 0 1.11411 215.97935 0 0 0 1.12291 221.59196 0 0 0 1.13172 228.1507 0 0 0 1.14053 232.686 0 0 0 1.14934 235.81601 0 0 0 1.15814 237.47995 0 0 0 1.16695 238.82237 0 0 0 1.17576 240.21658 0 0 0 1.18456 242.41074 0 0 0 1.19337 244.56934 0 0 0 1.20218 246.9158 0 0 0 1.21099 248.51933 0 0 0 1.21979 251.13104 0 0 0 1.22860 252.92458 0 0 0 1.23741 255.75458 0 0 0 1.24621 257.92456 0 0 0 1.25502 260.04944 0 0 0 1.26383 261.54324 0 0 0 1.27264 262.76538 0 0 0 1.28144 265.32254 0 0 0 1.29025 266.69379 0 0 0 1.29906 267.98752 0 0 0 1.30786 269.71976 0 0 0 1.31667 272.25967 0 0 0 1.32548 273.70288 0 0 0 1.33429 274.82208 0 0 0 1.34309 275.72577 0 0 0 1.35190 277.61392 0 0 0 1.36071 279.75186 0 0 0 1.36951 281.75839 0 0 0 1.37832 282.03479 0 0 0 1.38713 283.26971 0 0 0 1.39594 283.76291 0 0 0 1.40474 284.95508 0 0 0 1.41355 286.50079 0 0 0 1.42236 288.03024 0 0 0 1.43116 289.67349 0 0 0 1.43997 289.71457 0 0 0 1.44878 290.936 0 0 0 1.45759 291.66403 0 0 0 1.46639 292.88467 0 0 0 1.47520 293.37772 0 0 0 1.48401 294.45203 0 0 0 1.49281 296.29123 0 0 0 1.50162 297.69376 0 0 0 1.51043 298.6781 0 0 0 1.51924 299.50766 0 0 0 1.52804 300.67572 0 0 0 1.53685 302.27707 0 0 0 1.54566 303.11041 0 0 0 1.55446 303.87143 0 0 0 1.56327 303.9455 0 0 0 1.57208 306.28845 0 0 0 1.58089 307.74057 0 0 0 1.58969 307.875 0 0 0 1.59850 308.00458 0 0 0 1.60731 308.28177 0 0 0 1.61612 309.05713 0 0 0 1.62492 309.71786 0 0 0 1.63373 311.02435 0 0 0 1.64254 312.06589 0 0 0 1.65134 312.84961 0 0 0 1.66015 313.45169 0 0 0 1.66896 313.76746 0 0 0 1.67777 314.03809 0 0 0 1.68657 313.93594 0 0 0 1.69538 314.65311 0 0 0 1.70419 315.94135 0 0 0 1.71299 318.8309 0 0 0 1.72180 320.03204 0 0 0 1.73061 320.31155 0 0 0 1.73942 319.77536 0 0 0 1.74822 319.35541 0 0 0 1.75703 320.02762 0 0 0 1.76584 320.82056 0 0 0 1.77464 322.56512 0 0 0 1.78345 323.95938 0 0 0 1.79226 325.57004 0 0 0 1.80107 325.59012 0 0 0 1.80987 324.59888 0 0 0 1.81868 324.34683 0 0 0 1.82749 325.85944 0 0 0 1.83629 327.63834 0 0 0 1.84510 328.47742 0 0 0 1.85391 329.22858 0 0 0 1.86272 330.00455 0 0 0 1.87152 330.50693 0 0 0 1.88033 332.44104 0 0 0 1.88914 333.13776 0 0 0 1.89794 333.77802 0 0 0 1.90675 334.47275 0 0 0 1.91556 336.08167 0 0 0 1.92437 336.1452 0 0 0 1.93317 335.62662 0 0 0 1.94198 335.48459 0 0 0 1.95079 336.50916 0 0 0 1.95959 337.10327 0 0 0 1.96840 337.90314 0 0 0 1.97721 339.06592 0 0 0 1.98602 340.33267 0 0 0 1.99482 341.91568 0 0 0 2.00363 342.00226 0 0 0 2.01244 342.20728 0 0 0 2.02124 342.00589 0 0 0 2.03005 341.97958 0 0 0 2.03886 343.23569 0 0 0 2.04767 345.56543 0 0 0 2.05647 346.79456 0 0 0 2.06528 346.13782 0 0 0 2.07409 346.24292 0 0 0 2.08289 346.51593 0 0 0 2.09170 346.80508 0 0 0 2.10051 347.52463 0 0 0 2.10932 347.57547 0 0 0 2.11812 347.24048 0 0 0 2.12693 347.13272 0 0 0 2.13574 347.87076 0 0 0 2.14455 349.76663 0 0 0 2.15335 351.41046 0 0 0 2.16216 351.70636 0 0 0 2.17097 351.5181 0 0 0 2.17977 352.39886 0 0 0 2.18858 352.99017 0 0 0 2.19739 354.20401 0 0 0 2.20620 354.75183 0 0 0 2.21500 354.72 0 0 0 2.22381 355.02557 0 0 0 2.23262 356.60208 0 0 0 2.24142 357.60806 0 0 0 2.25023 356.7478 0 0 0 2.25904 356.40326 0 0 0 2.26785 357.11212 364.646229 364.625988 0.002800241 2.27665 358.28284 362.698649 362.678301 0.002791091 2.28546 358.84436 361.187004 361.166548 0.002786723 2.29427 359.31766 360.056678 360.036113 0.002783053 2.30307 359.31354 359.25816 359.237484 0.002783085 2.31188 359.11426 358.748304 358.725973 0.002784629 2.32069 359.65344 358.483698 358.461248 0.002780454 2.32950 360.80905 358.429605 358.407037 0.002771549 2.33830 361.52768 358.553499 358.530812 0.00276604 2.34711 361.89575 358.826295 358.803487 0.002763227 2.35592 362.07779 359.222066 359.199136 0.002761837 2.36472 362.12479 359.717811 359.694759 0.002761479 2.37353 361.90204 360.293142 360.269966 0.002763179 2.38234 362.85773 360.930158 360.906857 0.002755901 2.39115 364.10849 361.613134 361.589707 0.002746434 2.39995 364.4902 362.328386 362.304832 0.002743558 2.40876 364.72833 363.064071 363.040389 0.002741767 2.41757 364.42349 363.810012 363.786201 0.00274406 2.42637 365.33829 364.557535 364.533593 0.002737189 2.43518 366.72586 365.299365 365.275292 0.002726833 2.44399 366.93301 366.029418 366.005212 0.002725293 2.45280 367.04825 366.742715 366.718376 0.002724437 2.46160 367.13498 367.435298 367.410824 0.002723794 2.47041 368.18799 368.104023 368.079412 0.002716004 2.47922 368.80344 368.746609 368.721861 0.002711471 2.48802 368.76987 369.361383 369.336496 0.002711718 2.49683 368.82993 369.947349 369.922322 0.002711277 2.50564 368.72052 370.503981 370.478814 0.002712081 2.51445 369.36874 371.031244 371.005933 0.002707322 2.52325 370.19662 371.529483 371.504029 0.002701267 2.53206 371.0592 371.999379 371.97378 0.002694988 2.54087 371.19489 372.4419 372.416155 0.002694003 2.54967 371.49881 372.858245 372.832352 0.002691799 2.55848 372.55612 373.249807 373.223764 0.002684159 2.56729 372.88818 373.618117 373.591924 0.002681769 2.57610 373.35394 373.964841 373.938496 0.002678424 2.58490 372.54669 374.291715 374.265217 0.002684227 2.59371 372.74664 374.600534 374.57388 0.002682787 2.60252 372.98175 374.893121 374.866311 0.002681096 2.61132 373.64474 375.171314 375.144346 0.002676339 2.62013 373.99564 375.43693 375.409803 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32.86394 188.74828 0 0 0 32.87275 190.71236 0 0 0 32.88156 180.98625 0 0 0 32.89037 179.96051 0 0 0 32.89917 183.8549 0 0 0 32.90798 187.42621 0 0 0 32.91679 188.6978 0 0 0 32.92559 188.71057 0 0 0 32.93440 179.98859 0 0 0 32.94321 179.24118 0 0 0 32.95202 181.57716 0 0 0 32.96082 185.6084 0 0 0 32.96963 187.41396 0 0 0 32.97844 186.118 0 0 0 32.98724 189.80241 0 0 0 32.99605 188.17262 0 0 0 33.00486 183.26501 0 0 0 33.01366 180.12538 0 0 0 33.02247 179.52579 0 0 0 33.03128 180.58293 0 0 0 33.04008 183.87604 0 0 0 33.04889 185.11523 0 0 0 33.05770 182.20093 0 0 0 33.06650 177.38719 0 0 0 33.07531 169.18379 0 0 0 33.08412 162.6019 0 0 0 33.09293 174.26108 0 0 0 33.10173 185.1319 0 0 0 33.11054 186.53807 0 0 0 33.11935 180.80957 0 0 0 33.12816 174.3735 0 0 0 33.13696 179.89343 0 0 0 33.14577 177.89534 0 0 0 33.15458 166.04219 0 0 0 33.16339 170.38271 0 0 0 33.17219 186.5844 0 0 0 33.18100 190.13248 0 0 0 33.18981 180.22621 0 0 0 33.19862 177.92049 0 0 0 33.20742 180.16098 0 0 0 33.21623 182.48047 0 0 0 33.22504 184.17957 0 0 0 33.23385 183.2634 0 0 0 33.24265 177.86653 0 0 0 33.25146 171.8007 0 0 0 33.26026 171.96411 0 0 0 33.26907 174.80275 0 0 0 33.27788 173.89767 0 0 0 33.28669 180.02397 0 0 0 33.29549 187.40254 0 0 0 33.30430 189.56396 0 0 0 33.31311 187.12224 0 0 0 33.32191 181.80681 0 0 0 33.33072 178.88345 0 0 0 33.33953 190.11819 0 0 0 33.34833 203.35329 0 0 0 33.35714 193.43422 0 0 0 33.36595 176.78586 0 0 0 33.37476 174.77371 0 0 0 33.38356 182.95537 0 0 0 33.39237 187.79147 0 0 0 33.40118 178.07234 0 0 0 33.40999 175.57742 0 0 0 33.41879 172.05237 0 0 0 33.42760 165.63501 0 0 0 33.43641 167.92679 0 0 0 33.44522 180.49066 0 0 0 33.45402 190.43765 0 0 0 33.46283 189.29631 0 0 0 33.47164 181.57524 0 0 0 33.48045 178.88139 0 0 0 33.48925 184.27147 0 0 0 33.49806 184.40466 0 0 0 33.50687 182.74709 0 0 0 33.51568 181.62822 0 0 0 33.52448 184.60577 0 0 0 33.53329 184.69943 0 0 0 33.54210 185.67273 0 0 0 33.55090 183.20319 0 0 0 33.55971 178.34947 0 0 0 33.56852 175.96387 0 0 0 33.57732 179.67638 0 0 0 33.58613 183.0784 0 0 0 33.59494 187.89192 0 0 0 33.60375 198.25389 0 0 0 33.61255 203.11412 0 0 0 33.62136 194.13206 0 0 0 33.63016 189.94142 0 0 0 33.63897 187.85294 0 0 0 33.64778 179.99962 0 0 0 33.65659 173.10558 0 0 0 33.66539 172.07523 0 0 0 33.67420 182.92596 0 0 0 33.68301 184.35457 0 0 0 33.69181 187.79662 0 0 0 33.70062 194.24216 0 0 0 33.70943 189.15065 0 0 0 33.71824 188.4344 0 0 0 33.72704 195.27821 0 0 0 33.73585 194.47023 0 0 0 33.74466 183.48717 0 0 0 33.75347 176.54123 0 0 0 33.76227 169.13737 0 0 0 33.77108 174.93512 0 0 0 33.77989 186.66515 0 0 0 33.78870 193.84489 0 0 0 33.79750 192.078 0 0 0 33.80631 177.76958 0 0 0 33.81512 176.29353 0 0 0 33.82393 185.95421 0 0 0 33.83273 189.92749 0 0 0 33.84154 189.41452 0 0 0 33.85035 193.07623 0 0 0 33.85915 200.67117 0 0 0 33.86796 204.3374 0 0 0 33.87677 202.43318 0 0 0 33.88557 200.04472 0 0 0 33.89438 194.43835 0 0 0 33.90319 189.39268 0 0 0 33.91199 175.9075 0 0 0 33.92080 176.41698 0 0 0 33.92961 192.3826 0 0 0 33.93842 203.14844 0 0 0 33.94722 205.90906 0 0 0 33.95603 197.19199 0 0 0 33.96484 192.90892 0 0 0 33.97364 193.11458 0 0 0 33.98245 189.14999 0 0 0 33.99126 183.93661 0 0 0 34.00007 185.39609 0 0 0 34.00887 193.43762 0 0 0 34.01768 201.31851 0 0 0 34.02649 204.14578 0 0 0 34.03530 195.69582 0 0 0 34.04410 193.73361 0 0 0 34.05291 188.24927 0 0 0 34.06172 186.80957 0 0 0 34.07053 187.21771 0 0 0 34.07933 187.39668 0 0 0 34.08814 180.91408 0 0 0 34.09695 183.93141 0 0 0 34.10575 192.90758 0 0 0 34.11456 201.96118 0 0 0 34.12337 197.36697 0 0 0 34.13217 193.76265 0 0 0 34.14098 193.07451 0 0 0 34.14979 194.00798 0 0 0 34.15860 189.50775 0 0 0 34.16740 180.62666 0 0 0 34.17621 184.95178 0 0 0 34.18502 179.11461 0 0 0 34.19382 183.82573 0 0 0 34.20263 188.65327 0 0 0 34.21144 189.17366 0 0 0 34.22024 196.90332 0 0 0 34.22905 211.07635 0 0 0 34.23786 217.57645 0 0 0 34.24667 217.26387 0 0 0 34.25547 211.61664 0 0 0 34.26428 201.97195 0 0 0 34.27309 191.71336 0 0 0 34.28189 179.44604 0 0 0 34.29070 177.98242 0 0 0 34.29951 178.8364 0 0 0 34.30832 182.12177 0 0 0 34.31712 189.57216 0 0 0 34.32593 189.03601 0 0 0 34.33474 199.58685 0 0 0 34.34355 205.53922 0 0 0 34.35235 209.57552 0 0 0 34.36116 204.9256 0 0 0 34.36997 200.97377 0 0 0 34.37878 207.65425 0 0 0 34.38758 209.98817 0 0 0 34.39639 206.34106 0 0 0 34.40520 202.06783 0 0 0 34.41401 200.12608 0 0 0 34.42281 200.63536 0 0 0 34.43162 194.35457 0 0 0 34.44043 192.4478 0 0 0 34.44923 189.37372 0 0 0 34.45804 186.42603 0 0 0 34.46685 195.39499 0 0 0 34.47566 198.38312 0 0 0 34.48446 199.802 0 0 0 34.49327 198.65942 0 0 0 34.50207 192.58984 0 0 0 34.51088 188.48863 0 0 0 34.51969 190.46475 0 0 0 34.52850 197.62354 0 0 0 34.53730 199.21785 0 0 0 34.54611 198.14883 0 0 0 34.55492 196.38446 0 0 0 34.56372 201.00514 0 0 0 34.57253 204.63475 0 0 0 34.58134 196.99873 0 0 0 34.59015 189.28293 0 0 0 34.59895 192.51813 0 0 0 34.60776 199.28117 0 0 0 34.61657 196.18884 0 0 0 34.62538 191.24823 0 0 0 34.63418 193.24918 0 0 0 34.64299 203.66393 0 0 0 34.65180 207.49298 0 0 0 34.66060 206.57483 0 0 0 34.66941 210.67673 0 0 0 34.67822 216.45674 0 0 0 34.68703 218.7722 0 0 0 34.69583 214.38399 0 0 0 34.70464 217.72792 0 0 0 34.71345 231.71446 0 0 0 34.72226 232.10297 0 0 0 34.73106 210.50705 0 0 0 34.73987 186.21999 0 0 0 34.74868 187.93399 0 0 0 34.75748 207.25612 0 0 0 34.76629 213.09724 0 0 0 34.77510 204.15143 0 0 0 34.78390 207.35886 0 0 0 34.79271 218.47874 0 0 0 34.80152 223.68896 0 0 0 34.81033 218.6497 0 0 0 34.81913 214.97871 0 0 0 34.82794 210.56503 0 0 0 34.83675 207.38573 0 0 0 34.84555 208.47945 0 0 0 34.85436 206.95184 0 0 0 34.86317 206.84853 0 0 0 34.87197 208.66602 0 0 0 34.88078 223.08649 0 0 0 34.88959 227.96332 0 0 0 34.89840 229.22087 0 0 0 34.90720 225.55272 0 0 0 34.91601 205.84662 0 0 0 34.92482 206.77502 0 0 0 34.93363 221.35255 0 0 0 34.94243 218.4272 0 0 0 34.95124 207.43503 0 0 0 34.96005 216.07249 0 0 0 34.96886 225.85063 0 0 0 34.97766 222.00214 0 0 0 34.98647 214.96245 0 0 0 34.99528 216.2225 0 0 0 35.00409 212.61327 0 0 0 35.01289 206.00034 0 0 0 35.02170 204.35381 0 0 0 35.03051 208.92847 0 0 0 35.03931 220.44434 0 0 0 35.04812 225.85498 0 0 0 35.05693 221.48015 0 0 0 35.06573 214.62222 0 0 0 35.07454 213.49797 0 0 0 35.08335 218.3559 0 0 0 35.09215 216.38205 0 0 0 35.10096 210.20071 0 0 0 35.10977 208.04619 0 0 0 35.11858 206.69933 0 0 0 35.12738 202.8233 0 0 0 35.13619 207.48056 0 0 0 35.14500 217.18417 0 0 0 35.15380 215.95889 0 0 0 35.16261 214.02203 0 0 0 35.17142 223.28951 0 0 0 35.18023 228.50183 0 0 0 35.18903 227.19147 0 0 0 35.19784 218.7 0 0 0 35.20665 219.27399 0 0 0 35.21545 225.49901 0 0 0 35.22426 225.59912 0 0 0 loop_ _gsas_i100_meas 0.31 14.64 5.86 3.95 10.55 5.67 100.00 18.86 63.19 23.87 83.13 19.21 1.31 1.11 34.52 67.18 0.44 60.70 13.61 17.78 4.44 1.22 2.69 6.73 3.87 43.60 2.68 39.60 5.54 1.79 1.12 0.19 0.06 10.17 2.03 1.44 1.66 3.69 5.89 19.30 24.62 5.16 3.83 0.02 4.32 0.08 1.30 0.69 30.11 0.49 5.51 7.71 12.77 0.21 8.38 12.27 2.10 5.20 5.91 0.02 12.41 0.55 7.60 0.00 4.05 2.11 3.06 4.32 3.45 0.30 1.91 2.31 2.33 20.45 0.49 1.48 0.13 3.58 0.71 4.76 2.10 8.72 0.00 7.90 0.11 7.42 14.95 21.70 2.09 0.42 2.77 0.41 4.24 0.61 0.44 2.06 9.90 3.56 1.36 3.29 0.13 0.23 3.67 2.36 0.52 0.08 9.15 0.15 2.75 7.59 16.94 3.03 3.86 13.56 5.67 2.90 0.34 0.63 0.01 0.61 2.07 0.07 4.55 0.43 0.00 0.58 8.81 2.29 4.78 0.22 0.28 0.97 0.25 0.02 7.30 2.46 0.57 0.52 0.04 0.46 1.43 0.38 0.37 12.93 1.61 7.62 0.69 0.03 0.00 6.28 2.35 0.86 0.17 0.12 0.32 2.08 2.26 2.91 5.34 0.00 1.74 2.03 0.97 0.50 0.83 2.34 0.00 0.93 0.03 1.46 1.96 1.56 0.04 3.38 0.61 0.18 0.18 0.27 0.94 0.02 0.55 0.02 0.01 0.00 0.00 0.26 0.35 0.07 0.01 0.02 0.42 0.66 1.01 1.52 2.91 6.92 0.95 4.37 0.48 0.78 0.08 0.73 0.54 0.70 0.59 0.26 0.00 1.11 0.42 1.28 0.33