#------------------------------------------------------------------------------ #$Date: 2025-07-01 13:39:59 +0300 (Tue, 01 Jul 2025) $ #$Revision: 1111 $ #$URL: svn://localhost/testcod/cif/7/20/00/7200013.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_7200013 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 2020-10-21T15:11 _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 94.6135(25) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 4.8883(3) _cell_length_b 12.1119(5) _cell_length_c 4.28963(21) _cell_measurement_pressure 8.63e6(5) _cell_measurement_temperature 293 _cell_volume 253.15(2) _computing_data_reduction Fit2D _computing_structure_refinement 'GSAS-II (Toby & Von Dreele, J. Appl. Cryst. 46, 544-549, 2013)' _diffrn_ambient_pressure 8.63e6(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 5.1909 _exptl_crystal_description 'white powder' _pd_block_id 2020-10-21T15:11|clau1_028rietveld||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 2020-10-21T15:11 _pd_proc_ls_background_function ; Background function: "chebyschev" function with 25 terms: 770.1(7), 320(3), -258(8), 4965(27), 13273(23), -1.2022(5)e5, -260837(9), 1.392926(13)e6, 2.402296(20)e6, -9.44200(4)e6, -1.2307983(17)e7, 3.988483(5)e7, 3.8329506(8)e7, -1.08494420(19)e8, -7.6014360(13)e7, 1.92765894(28)e8, 9.7521198(20)e7, -2.2217619(6)e8, -7.9844680(21)e7, 1.6001880(5)e8, 3.9604044(14)e7, -6.5428207(13)e7, -1.0509871(7)e7, 1.159358(8)e7, 1.06757(3)e6, ; _pd_proc_ls_pref_orient_corr ; Simple spherical harmonic correction Order = 6 Coefficients: 0:0:C(6,6) = -0.078(20); 0:0:C(4,4) = 0.109(21); 0:0:C(6,-2) = -0.087(26); 0:0:C(2,-2) = 0.099(12); 0:0:C(4,-4) = -0.128(18); 0:0:C(2,2) = 0.571(14); 0:0:C(4,0) = -0.312(15); 0:0:C(6,-6) = -0.192(24); 0:0:C(6,4) = -0.026(24); 0:0:C(4,2) = -0.154(18); 0:0:C(6,2) = -0.091(23); 0:0:C(6,-4) = 0.026(20); 0:0:C(6,0) = -0.126(22); 0:0:C(2,0) = -0.234(13); 0:0:C(4,-2) = -0.096(17); ; _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 3.23(20)e3, -5.6(3)e2, 26.5(15), 0.30(23), 30(6), 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 0.00725 _pd_proc_ls_prof_wR_expected 0.03549 _pd_proc_ls_prof_wR_factor 0.01135 _refine_ls_goodness_of_fit_all 0.325 _refine_ls_matrix_type full _refine_ls_number_parameters 67 _refine_ls_R_Fsqd_factor 0.04497 _refine_ls_shift/su_max 0.0012 _refine_ls_wR_factor_obs 0.01136 _reflns_d_resolution_high 1.078 _reflns_d_resolution_low 6.056 _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 209 _cod_data_source_file d0ce01401j3.cif _cod_data_source_block clau1_028rietveld _cod_original_cell_volume 253.154(13) _cod_database_code 7200013 _refine_ls_r_f_factor 0.02693 _gsas_proc_ls_prof_r_b_factor 0.01318 _gsas_proc_ls_prof_wr_b_factor 0.02487 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 0.2768(8) 0.09132(25) 0.0535(5) 1.000 Uiso 0.0055(14) 4 As2 As 0.3395(6) 0.35752(28) 0.0171(6) 1.000 Uiso 0.0055 4 O3 O 0.4305(27) 0.2216(3) 0.137(4) 1.000 Uiso 0.0055 4 O4 O 0.6620(17) 0.4132(12) 0.1517(12) 1.000 Uiso 0.0055 4 O5 O -0.0637(15) 0.1237(18) 0.1309(12) 1.000 Uiso 0.0055 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 108.7(8) 1_555 1_555 4_454 yes O3 As1 O5 98.9(9) 1_555 1_555 1_555 yes O4 As1 O5 87.7(3) 4_454 1_555 1_555 yes O3 As2 O4 93.6(6) 1_555 1_555 1_555 yes O3 As2 O5 108.1(11) 1_555 1_555 4_554 yes O4 As2 O5 87.6(3) 1_555 1_555 4_554 yes As1 O3 As2 132.6(5) 1_555 1_555 1_555 yes As1 O4 As2 120.7(4) 4_555 1_555 1_555 yes As1 O5 As2 122.0(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 1.7722(32) 1_555 1_555 yes As1 O4 1.7700(31) 1_555 4_454 yes As1 O5 1.767(3) 1_555 1_555 yes As2 O3 1.770(3) 1_555 1_555 yes As2 O4 1.768(3) 1_555 1_555 yes As2 O5 1.7739(31) 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 97.276337 0 0 0 0.01321 112.39535 0 0 0 0.02202 111.81138 0 0 0 0.03083 110.60407 0 0 0 0.03963 111.17843 0 0 0 0.04844 111.4449 0 0 0 0.05725 110.44319 0 0 0 0.06605 110.81485 0 0 0 0.07486 109.63596 0 0 0 0.08367 107.97226 0 0 0 0.09248 105.12094 0 0 0 0.10128 103.32869 0 0 0 0.11009 102.34551 0 0 0 0.11890 102.11839 0 0 0 0.12770 102.87366 0 0 0 0.13651 103.86729 0 0 0 0.14532 103.98026 0 0 0 0.15413 104.27477 0 0 0 0.16293 105.81602 0 0 0 0.17174 108.09274 0 0 0 0.18055 108.61747 0 0 0 0.18935 107.2041 0 0 0 0.19816 106.04993 0 0 0 0.20697 105.87321 0 0 0 0.21578 105.48641 0 0 0 0.22458 106.19856 0 0 0 0.23339 107.96475 0 0 0 0.24220 109.53003 0 0 0 0.25100 110.0738 0 0 0 0.25981 111.47158 0 0 0 0.26862 112.01457 0 0 0 0.27743 110.46452 0 0 0 0.28623 109.04722 0 0 0 0.29504 109.22678 0 0 0 0.30385 108.89333 0 0 0 0.31265 108.85132 0 0 0 0.32146 109.11768 0 0 0 0.33027 109.70639 0 0 0 0.33908 110.73919 0 0 0 0.34788 111.55887 0 0 0 0.35669 111.17153 0 0 0 0.36550 110.102 0 0 0 0.37430 107.75101 0 0 0 0.38311 106.93025 0 0 0 0.39192 107.47497 0 0 0 0.40073 108.15488 0 0 0 0.40953 107.85107 0 0 0 0.41834 108.26381 0 0 0 0.42715 108.76833 0 0 0 0.43595 108.5296 0 0 0 0.44476 107.93221 0 0 0 0.45357 108.57267 0 0 0 0.46238 108.73629 0 0 0 0.47118 108.01458 0 0 0 0.47999 106.89787 0 0 0 0.48880 106.1444 0 0 0 0.49760 106.02389 0 0 0 0.50641 106.89808 0 0 0 0.51522 107.25889 0 0 0 0.52403 108.00964 0 0 0 0.53283 107.70804 0 0 0 0.54164 108.0865 0 0 0 0.55045 108.53442 0 0 0 0.55926 109.13348 0 0 0 0.56806 109.44086 0 0 0 0.57687 109.35599 0 0 0 0.58568 108.69119 0 0 0 0.59448 108.21683 0 0 0 0.60329 107.29041 0 0 0 0.61210 107.43397 0 0 0 0.62091 108.45573 0 0 0 0.62971 109.03897 0 0 0 0.63852 108.86308 0 0 0 0.64733 108.68575 0 0 0 0.65613 108.81251 0 0 0 0.66494 109.44897 0 0 0 0.67375 110.06264 0 0 0 0.68256 109.53976 0 0 0 0.69136 109.06157 0 0 0 0.70017 108.36238 0 0 0 0.70898 108.39255 0 0 0 0.71778 108.3745 0 0 0 0.72659 109.07264 0 0 0 0.73540 109.4401 0 0 0 0.74421 110.48753 0 0 0 0.75301 111.66921 0 0 0 0.76182 111.67047 0 0 0 0.77063 110.71268 0 0 0 0.77943 110.27915 0 0 0 0.78824 110.56105 0 0 0 0.79705 111.2917 0 0 0 0.80586 111.22211 0 0 0 0.81466 111.45755 0 0 0 0.82347 112.56753 0 0 0 0.83228 113.12086 0 0 0 0.84108 113.65818 0 0 0 0.84989 113.8878 0 0 0 0.85870 114.53944 0 0 0 0.86751 114.91794 0 0 0 0.87631 115.85282 0 0 0 0.88512 116.50071 0 0 0 0.89393 117.89717 0 0 0 0.90273 119.96575 0 0 0 0.91154 119.92399 0 0 0 0.92035 120.7588 0 0 0 0.92916 120.23196 0 0 0 0.93796 119.82096 0 0 0 0.94677 121.72712 0 0 0 0.95558 125.30943 0 0 0 0.96438 129.50133 0 0 0 0.97319 131.59724 0 0 0 0.98200 130.48193 0 0 0 0.99081 126.17545 0 0 0 0.99961 122.16322 0 0 0 1.00842 125.96207 0 0 0 1.01723 135.29556 0 0 0 1.02604 142.82649 0 0 0 1.03484 148.81363 0 0 0 1.04365 155.26566 0 0 0 1.05246 165.99916 0 0 0 1.06126 171.38956 0 0 0 1.07007 180.88075 0 0 0 1.07888 185.86871 0 0 0 1.08769 191.74098 0 0 0 1.09649 198.77364 0 0 0 1.10530 207.37537 0 0 0 1.11411 214.69342 0 0 0 1.12291 220.79367 0 0 0 1.13172 227.23776 0 0 0 1.14053 231.97386 0 0 0 1.14934 234.84302 0 0 0 1.15814 238.63892 0 0 0 1.16695 239.4416 0 0 0 1.17576 240.1539 0 0 0 1.18456 242.43425 0 0 0 1.19337 246.61723 0 0 0 1.20218 248.80661 0 0 0 1.21099 250.53226 0 0 0 1.21979 253.11481 0 0 0 1.22860 254.36691 0 0 0 1.23741 256.55392 0 0 0 1.24621 257.94214 0 0 0 1.25502 260.67224 0 0 0 1.26383 263.59927 0 0 0 1.27264 265.68936 0 0 0 1.28144 267.40268 0 0 0 1.29025 269.18231 0 0 0 1.29906 270.19147 0 0 0 1.30786 271.29489 0 0 0 1.31667 272.87097 0 0 0 1.32548 274.40833 0 0 0 1.33429 275.36212 0 0 0 1.34309 276.69946 0 0 0 1.35190 278.78864 0 0 0 1.36071 281.03632 0 0 0 1.36951 281.52335 0 0 0 1.37832 282.66315 0 0 0 1.38713 283.29517 0 0 0 1.39594 284.52029 0 0 0 1.40474 285.34381 0 0 0 1.41355 286.48404 0 0 0 1.42236 287.73669 0 0 0 1.43116 290.38867 0 0 0 1.43997 291.24011 0 0 0 1.44878 292.55237 0 0 0 1.45759 293.67874 0 0 0 1.46639 294.93176 0 0 0 1.47520 296.0946 0 0 0 1.48401 296.17618 0 0 0 1.49281 295.18378 0 0 0 1.50162 296.13696 0 0 0 1.51043 298.88058 0 0 0 1.51924 300.57651 0 0 0 1.52804 300.98129 0 0 0 1.53685 302.65833 0 0 0 1.54566 303.87509 0 0 0 1.55446 304.38693 0 0 0 1.56327 305.19702 0 0 0 1.57208 307.45621 0 0 0 1.58089 308.58496 0 0 0 1.58969 308.47641 0 0 0 1.59850 309.39142 0 0 0 1.60731 311.49487 0 0 0 1.61612 313.20181 0 0 0 1.62492 313.95932 0 0 0 1.63373 314.09045 0 0 0 1.64254 314.07559 0 0 0 1.65134 315.01837 0 0 0 1.66015 316.15692 0 0 0 1.66896 317.43835 0 0 0 1.67777 318.53033 0 0 0 1.68657 319.06219 0 0 0 1.69538 319.13547 0 0 0 1.70419 317.79022 0 0 0 1.71299 318.3768 0 0 0 1.72180 320.23663 0 0 0 1.73061 322.58612 0 0 0 1.73942 323.98203 0 0 0 1.74822 324.04144 0 0 0 1.75703 324.26654 0 0 0 1.76584 324.67957 0 0 0 1.77464 324.76169 0 0 0 1.78345 324.88339 0 0 0 1.79226 325.06885 0 0 0 1.80107 326.36993 0 0 0 1.80987 328.12814 0 0 0 1.81868 328.80249 0 0 0 1.82749 329.30347 0 0 0 1.83629 329.85373 0 0 0 1.84510 330.93317 0 0 0 1.85391 331.48364 0 0 0 1.86272 332.00708 0 0 0 1.87152 333.46869 0 0 0 1.88033 334.05023 0 0 0 1.88914 334.36829 0 0 0 1.89794 334.90048 0 0 0 1.90675 336.53244 0 0 0 1.91556 338.40323 0 0 0 1.92437 338.31329 0 0 0 1.93317 337.67532 0 0 0 1.94198 337.22668 0 0 0 1.95079 337.88989 0 0 0 1.95959 338.45914 0 0 0 1.96840 339.3609 0 0 0 1.97721 340.9494 0 0 0 1.98602 341.75455 0 0 0 1.99482 342.09512 0 0 0 2.00363 342.46301 0 0 0 2.01244 343.43259 0 0 0 2.02124 343.50919 0 0 0 2.03005 344.04138 0 0 0 2.03886 344.21783 0 0 0 2.04767 344.59018 0 0 0 2.05647 345.58939 0 0 0 2.06528 346.3812 0 0 0 2.07409 346.89688 0 0 0 2.08289 347.33487 0 0 0 2.09170 348.56482 0 0 0 2.10051 348.83905 0 0 0 2.10932 348.79013 0 0 0 2.11812 350.45975 0 0 0 2.12693 351.40302 0 0 0 2.13574 351.81052 0 0 0 2.14455 350.42361 0 0 0 2.15335 350.59003 0 0 0 2.16216 352.08566 0 0 0 2.17097 353.38281 0 0 0 2.17977 354.01285 0 0 0 2.18858 354.09103 0 0 0 2.19739 354.58426 0 0 0 2.20620 355.9762 0 0 0 2.21500 356.01004 0 0 0 2.22381 355.88049 0 0 0 2.23262 355.60843 0 0 0 2.24142 357.04095 0 0 0 2.25023 357.83057 0 0 0 2.25904 358.90933 0 0 0 2.26785 359.85962 0 0 0 2.27665 360.6618 0 0 0 2.28546 360.48697 0 0 0 2.29427 360.8616 0 0 0 2.30307 361.27087 0 0 0 2.31188 361.52774 0 0 0 2.32069 360.6069 0 0 0 2.32950 360.98877 0 0 0 2.33830 361.56607 0 0 0 2.34711 362.25974 0 0 0 2.35592 362.23318 0 0 0 2.36472 362.61716 0 0 0 2.37353 363.00546 0 0 0 2.38234 364.79248 0 0 0 2.39115 366.47281 0 0 0 2.39995 366.28928 0 0 0 2.40876 365.76779 0 0 0 2.41757 366.46619 0 0 0 2.42637 367.50674 0 0 0 2.43518 367.87958 0 0 0 2.44399 368.61761 0 0 0 2.45280 368.11737 0 0 0 2.46160 366.78943 0 0 0 2.47041 366.34583 0 0 0 2.47922 367.30386 0 0 0 2.48802 368.46286 0 0 0 2.49683 369.42752 0 0 0 2.50564 369.79144 0 0 0 2.51445 370.66113 0 0 0 2.52325 371.42844 0 0 0 2.53206 372.02081 0 0 0 2.54087 372.15665 0 0 0 2.54967 373.35791 0 0 0 2.55848 374.02841 0 0 0 2.56729 375.24521 0 0 0 2.57610 374.30392 0 0 0 2.58490 373.57095 0 0 0 2.59371 373.11731 0 0 0 2.60252 374.42969 0 0 0 2.61132 376.38773 0 0 0 2.62013 377.32001 0 0 0 2.62894 377.40799 0 0 0 2.63775 377.07141 0 0 0 2.64655 376.42581 0 0 0 2.65536 377.25986 0 0 0 2.66417 378.16605 0 0 0 2.67298 378.65402 0 0 0 2.68178 378.33832 0 0 0 2.69059 378.8063 0 0 0 2.69940 379.14395 0 0 0 2.70820 379.12415 0 0 0 2.71701 380.4024 0 0 0 2.72582 381.75073 0 0 0 2.73463 382.30029 0 0 0 2.74343 382.27106 0 0 0 2.75224 381.93814 0 0 0 2.76105 381.49734 0 0 0 2.76985 382.2655 0 0 0 2.77866 382.90137 0 0 0 2.78747 383.61319 0 0 0 2.79628 383.55725 0 0 0 2.80508 383.36816 0 0 0 2.81389 383.4144 0 0 0 2.82270 383.905 0 0 0 2.83150 385.02283 0 0 0 2.84031 385.89029 0 0 0 2.84912 386.29999 0 0 0 2.85793 386.3338 0 0 0 2.86673 385.83124 0 0 0 2.87554 385.23752 0 0 0 2.88435 386.0173 0 0 0 2.89315 386.78708 0 0 0 2.90196 387.46835 0 0 0 2.91077 387.35367 0 0 0 2.91958 387.96259 0 0 0 2.92838 388.06256 0 0 0 2.93719 388.41492 0 0 0 2.94600 388.33408 0 0 0 2.95480 388.88446 0 0 0 2.96361 389.85245 0 0 0 2.97242 390.20428 0 0 0 2.98123 390.81116 0 0 0 2.99003 391.48801 0 0 0 2.99884 392.01691 0 0 0 3.00765 391.29474 0 0 0 3.01645 390.31421 0 0 0 3.02526 390.26871 0 0 0 3.03407 391.06442 0 0 0 3.04288 391.01978 0 0 0 3.05168 391.93188 0 0 0 3.06049 393.76608 0 0 0 3.06930 394.58539 0 0 0 3.07810 394.40668 0 0 0 3.08691 394.75699 0 0 0 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33.26026 170.07393 0 0 0 33.26907 186.50558 0 0 0 33.27788 188.11069 0 0 0 33.28669 178.47734 0 0 0 33.29549 172.92584 0 0 0 33.30430 178.28256 0 0 0 33.31311 179.75203 0 0 0 33.32191 179.72322 0 0 0 33.33072 182.06494 0 0 0 33.33953 188.60826 0 0 0 33.34833 195.14958 0 0 0 33.35714 197.74277 0 0 0 33.36595 199.97011 0 0 0 33.37476 189.76643 0 0 0 33.38356 182.71375 0 0 0 33.39237 184.93983 0 0 0 33.40118 187.81931 0 0 0 33.40999 186.75554 0 0 0 33.41879 193.7704 0 0 0 33.42760 199.50902 0 0 0 33.43641 190.27264 0 0 0 33.44522 173.90601 0 0 0 33.45402 175.56316 0 0 0 33.46283 181.79382 0 0 0 33.47164 182.23856 0 0 0 33.48045 175.33229 0 0 0 33.48925 182.02882 0 0 0 33.49806 188.76917 0 0 0 33.50687 182.2238 0 0 0 33.51568 181.10283 0 0 0 33.52448 183.01974 0 0 0 33.53329 181.47818 0 0 0 33.54210 177.18845 0 0 0 33.55090 187.49661 0 0 0 33.55971 192.83502 0 0 0 33.56852 183.55757 0 0 0 33.57732 185.78661 0 0 0 33.58613 197.25433 0 0 0 33.59494 204.10141 0 0 0 33.60375 189.45622 0 0 0 33.61255 174.38504 0 0 0 33.62136 180.77139 0 0 0 33.63016 197.27585 0 0 0 33.63897 195.27542 0 0 0 33.64778 189.74449 0 0 0 33.65659 190.81068 0 0 0 33.66539 195.62903 0 0 0 33.67420 194.957 0 0 0 33.68301 188.45293 0 0 0 33.69181 185.08913 0 0 0 33.70062 179.05615 0 0 0 33.70943 167.35541 0 0 0 33.71824 174.18617 0 0 0 33.72704 187.70404 0 0 0 33.73585 192.57094 0 0 0 33.74466 189.97437 0 0 0 33.75347 187.86293 0 0 0 33.76227 175.43547 0 0 0 33.77108 171.72484 0 0 0 33.77989 179.76431 0 0 0 33.78870 195.34209 0 0 0 33.79750 194.53381 0 0 0 33.80631 190.98463 0 0 0 33.81512 196.9894 0 0 0 33.82393 194.27478 0 0 0 33.83273 183.2973 0 0 0 33.84154 188.79503 0 0 0 33.85035 192.85016 0 0 0 33.85915 198.66209 0 0 0 33.86796 199.26801 0 0 0 33.87677 190.60341 0 0 0 33.88557 185.15895 0 0 0 33.89438 184.71323 0 0 0 33.90319 185.48845 0 0 0 33.91199 198.28758 0 0 0 33.92080 210.29672 0 0 0 33.92961 199.55597 0 0 0 33.93842 188.5826 0 0 0 33.94722 182.75859 0 0 0 33.95603 184.28075 0 0 0 33.96484 182.35164 0 0 0 33.97364 181.30914 0 0 0 33.98245 182.06599 0 0 0 33.99126 187.47203 0 0 0 34.00007 193.11348 0 0 0 34.00887 194.07112 0 0 0 34.01768 185.96072 0 0 0 34.02649 180.20097 0 0 0 34.03530 179.63115 0 0 0 34.04410 171.4514 0 0 0 34.05291 174.57153 0 0 0 34.06172 182.4175 0 0 0 34.07053 187.85909 0 0 0 34.07933 188.84645 0 0 0 34.08814 184.36322 0 0 0 34.09695 181.69008 0 0 0 34.10575 180.9901 0 0 0 34.11456 185.29477 0 0 0 34.12337 184.6076 0 0 0 34.13217 193.19417 0 0 0 34.14098 197.68982 0 0 0 34.14979 202.60223 0 0 0 34.15860 208.13675 0 0 0 34.16740 199.13908 0 0 0 34.17621 196.33682 0 0 0 34.18502 206.70955 0 0 0 34.19382 208.88647 0 0 0 34.20263 211.48529 0 0 0 34.21144 210.27695 0 0 0 34.22024 204.79733 0 0 0 34.22905 189.04761 0 0 0 34.23786 177.18683 0 0 0 34.24667 175.86545 0 0 0 34.25547 178.494 0 0 0 34.26428 183.9823 0 0 0 34.27309 194.33362 0 0 0 34.28189 204.41028 0 0 0 34.29070 201.43996 0 0 0 34.29951 192.45857 0 0 0 34.30832 187.27853 0 0 0 34.31712 185.0464 0 0 0 34.32593 191.13759 0 0 0 34.33474 199.5197 0 0 0 34.34355 213.09436 0 0 0 34.35235 217.83954 0 0 0 34.36116 208.1795 0 0 0 34.36997 201.55736 0 0 0 34.37878 197.7059 0 0 0 34.38758 197.78119 0 0 0 34.39639 203.64238 0 0 0 34.40520 212.22015 0 0 0 34.41401 217.42236 0 0 0 34.42281 215.19534 0 0 0 34.43162 200.32637 0 0 0 34.44043 190.26907 0 0 0 34.44923 192.58295 0 0 0 34.45804 194.44415 0 0 0 34.46685 200.80363 0 0 0 34.47566 213.34595 0 0 0 34.48446 219.81587 0 0 0 34.49327 213.53835 0 0 0 34.50207 207.90244 0 0 0 34.51088 207.87341 0 0 0 34.51969 203.62337 0 0 0 34.52850 201.18063 0 0 0 34.53730 196.79553 0 0 0 34.54611 196.99858 0 0 0 34.55492 202.03392 0 0 0 34.56372 201.88393 0 0 0 34.57253 198.53972 0 0 0 34.58134 194.33215 0 0 0 34.59015 191.7451 0 0 0 34.59895 192.70892 0 0 0 34.60776 196.43799 0 0 0 34.61657 203.58727 0 0 0 34.62538 216.58521 0 0 0 34.63418 218.12341 0 0 0 34.64299 211.0071 0 0 0 34.65180 208.13683 0 0 0 34.66060 207.4265 0 0 0 34.66941 202.29907 0 0 0 34.67822 209.01732 0 0 0 34.68703 223.06946 0 0 0 34.69583 232.83189 0 0 0 34.70464 242.40933 0 0 0 34.71345 241.09576 0 0 0 34.72226 243.02122 0 0 0 34.73106 238.18167 0 0 0 34.73987 231.92346 0 0 0 34.74868 224.65962 0 0 0 34.75748 219.84673 0 0 0 34.76629 214.93884 0 0 0 34.77510 208.98291 0 0 0 34.78390 214.16721 0 0 0 34.79271 219.5574 0 0 0 34.80152 209.22038 0 0 0 34.81033 201.54349 0 0 0 34.81913 201.66675 0 0 0 34.82794 197.03604 0 0 0 34.83675 193.73293 0 0 0 34.84555 201.39055 0 0 0 34.85436 208.5022 0 0 0 34.86317 211.5094 0 0 0 34.87197 200.62346 0 0 0 34.88078 192.11095 0 0 0 34.88959 196.92249 0 0 0 34.89840 204.90587 0 0 0 34.90720 208.31227 0 0 0 34.91601 215.75047 0 0 0 34.92482 221.76099 0 0 0 34.93363 218.92867 0 0 0 34.94243 216.73524 0 0 0 34.95124 220.27565 0 0 0 34.96005 215.11372 0 0 0 34.96886 214.14853 0 0 0 34.97766 210.93021 0 0 0 34.98647 213.05347 0 0 0 34.99528 212.09773 0 0 0 35.00409 204.24089 0 0 0 35.01289 201.15976 0 0 0 35.02170 204.09369 0 0 0 35.03051 209.54002 0 0 0 35.03931 212.22374 0 0 0 35.04812 216.92874 0 0 0 35.05693 220.29684 0 0 0 35.06573 217.04341 0 0 0 35.07454 207.19839 0 0 0 35.08335 199.12619 0 0 0 35.09215 191.67673 0 0 0 35.10096 189.43987 0 0 0 35.10977 193.80753 0 0 0 35.11858 204.8069 0 0 0 35.12738 220.41429 0 0 0 35.13619 227.47655 0 0 0 35.14500 223.88559 0 0 0 35.15380 218.69911 0 0 0 35.16261 216.9057 0 0 0 35.17142 220.97964 0 0 0 35.18023 221.97491 0 0 0 35.18903 214.33783 0 0 0 35.19784 214.74669 0 0 0 35.20665 226.65814 0 0 0 35.21545 228.02654 0 0 0 35.22426 234.11229 0 0 0 loop_ _gsas_i100_meas 0.52 17.23 6.46 4.88 7.28 6.72 100.00 16.82 54.75 32.23 84.74 20.28 0.66 2.36 39.97 57.55 0.10 66.53 14.36 20.83 3.61 1.92 2.51 7.62 3.17 49.40 6.05 31.78 4.48 1.58 1.43 0.19 0.33 10.02 2.28 1.59 0.94 2.51 9.04 15.11 18.20 3.69 3.58 3.47 0.00 0.14 2.54 1.68 37.74 0.51 5.69 8.25 10.98 0.09 9.16 12.12 3.43 5.43 6.84 0.01 16.31 0.65 15.49 0.00 5.27 2.91 2.63 4.52 2.91 1.15 0.00 3.59 3.87 18.93 0.68 0.12 2.76 3.08 1.34 4.79 3.03 9.19 0.05 0.06 8.60 6.76 17.54 22.39 2.45 0.38 2.27 3.97 0.66 0.17 0.68 1.38 12.36 1.68 3.49 3.49 0.06 0.19 4.65 3.50 0.37 0.28 8.55 0.13 3.48 7.85 16.02 1.97 6.30 13.56 8.80 2.64 1.39 0.15 0.08 0.58 3.44 0.14 4.03 1.06 0.00 1.80 11.91 2.51 8.87 0.01 0.96 1.72 0.35 0.03 8.64 3.54 0.42 1.20 0.39 0.09 1.22 1.11 0.98 13.82 2.64 0.00 9.03 0.48 1.05 2.52 0.01 10.99 0.11 0.51 0.10 2.30 2.33 5.73 4.84 0.18 2.30 0.84 0.19 2.36 0.66 2.65 1.20 1.64 0.01 0.00 2.52 1.76 0.20 3.57 0.35 0.96 1.66 0.02 0.35 0.39 0.01 1.35 0.06 0.01 0.06 0.67 0.59 0.16 0.10 0.14 0.38 0.69 1.20 3.12 1.34 7.58 1.47 6.95 0.74 0.71 0.02 0.74 0.78 1.17 0.78 0.52 0.01 0.43 1.63