#------------------------------------------------------------------------------ #$Date: 2025-07-01 13:39:59 +0300 (Tue, 01 Jul 2025) $ #$Revision: 1111 $ #$URL: svn://localhost/testcod/cif/7/20/00/7200006.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_7200006 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 2020-10-21T11:06 _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 94.604(6) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.0748(6) _cell_length_b 12.42717(21) _cell_length_c 4.4031(4) _cell_measurement_pressure 3.74e6(6) _cell_measurement_temperature 293 _cell_volume 276.79(4) _computing_data_reduction Fit2D _computing_structure_refinement 'GSAS-II (Toby & Von Dreele, J. Appl. Cryst. 46, 544-549, 2013)' _diffrn_ambient_pressure 3.74e6(6) _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 4.7477 _exptl_crystal_description 'white powder' _pd_block_id 2020-10-21T11:06|clau1_008rietveld||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 2020-10-21T11:06 _pd_proc_ls_background_function ; Background function: "chebyschev" function with 15 terms: 714.7(23), 327(11), 10(4)e1, 2.6(8)e2, 3.24(22)e3, -3.06(17)e3, -3.146(30)e4, 1.332(3)e4, 1.0207(14)e5, -2.602(15)e4, -1.5507(27)e5, 2.289(12)e4, 1.1276(30)e5, -7.44(17)e3, -3.17(3)e4, ; _pd_proc_ls_pref_orient_corr ; Simple spherical harmonic correction Order = 6 Coefficients: 0:0:C(6,6) = 0.463(23); 0:0:C(4,4) = 0.931(31); 0:0:C(6,-2) = 0.142(31); 0:0:C(2,-2) = 0.344(17); 0:0:C(4,-4) = 0.252(22); 0:0:C(2,2) = 0.838(18); 0:0:C(4,0) = 0.413(28); 0:0:C(6,-6) = -0.388(31); 0:0:C(6,4) = 0.208(29); 0:0:C(4,2) = -0.135(22); 0:0:C(6,2) = 0.204(26); 0:0:C(6,-4) = 0.040(26); 0:0:C(6,0) = 0.43(3); 0:0:C(2,0) = 0.693(20); 0:0:C(4,-2) = -0.146(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 8.6(7)e2, -132(11), 6.4(5), 1.14(12), 4(3), 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 0.02554 _pd_proc_ls_prof_wR_expected 0.03485 _pd_proc_ls_prof_wR_factor 0.04150 _refine_ls_goodness_of_fit_all 1.217 _refine_ls_matrix_type full _refine_ls_number_parameters 57 _refine_ls_R_Fsqd_factor 0.14350 _refine_ls_shift/su_max 0.0046 _refine_ls_wR_factor_obs 0.04184 _reflns_d_resolution_high 1.150 _reflns_d_resolution_low 6.214 _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 191 _cod_data_source_file d0ce01401j3.cif _cod_data_source_block clau1_008rietveld _cod_original_cell_volume 276.787(17) _cod_database_code 7200006 _refine_ls_r_f_factor 0.09127 _gsas_proc_ls_prof_r_b_factor 0.05052 _gsas_proc_ls_prof_wr_b_factor 0.07331 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 0.2555(16) 0.09360(24) 0.0406(8) 1.000 Uiso 0.0195(16) 4 As2 As 0.3461(11) 0.35571(29) 0.0093(8) 1.000 Uiso 0.0195 4 O3 O 0.412(4) 0.2200(7) 0.079(4) 1.000 Uiso 0.0195 4 O4 O 0.641(4) 0.4192(18) 0.1410(27) 1.000 Uiso 0.0195 4 O5 O -0.032(4) 0.1527(20) 0.148(4) 1.000 Uiso 0.0195 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 106.2(10) 1_555 1_555 4_454 yes O3 As1 O5 88.8(11) 1_555 1_555 1_555 yes O4 As1 O5 95.2(8) 4_454 1_555 1_555 yes O3 As2 O4 103.3(10) 1_555 1_555 1_555 yes O3 As2 O5 91.5(13) 1_555 1_555 4_554 yes O4 As2 O5 88.5(7) 1_555 1_555 4_554 yes As1 O3 As2 140.1(12) 1_555 1_555 1_555 yes As1 O4 As2 118.7(8) 4_555 1_555 1_555 yes As1 O5 As2 126.0(11) 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 1.762(10) 1_555 1_555 yes As1 O4 1.815(9) 1_555 4_454 yes As1 O5 1.734(11) 1_555 1_555 yes As2 O3 1.743(10) 1_555 1_555 yes As2 O4 1.749(11) 1_555 1_555 yes As2 O5 1.755(10) 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 98.76059 0 0 0 0.01320 97.491005 0 0 0 0.02201 99.826309 0 0 0 0.03081 102.26284 0 0 0 0.03961 102.86649 0 0 0 0.04841 103.11127 0 0 0 0.05721 103.6086 0 0 0 0.06602 104.90591 0 0 0 0.07482 106.58317 0 0 0 0.08362 107.38524 0 0 0 0.09242 105.72556 0 0 0 0.10122 104.7738 0 0 0 0.11003 105.42298 0 0 0 0.11883 106.61492 0 0 0 0.12763 106.14854 0 0 0 0.13643 106.43369 0 0 0 0.14523 105.14165 0 0 0 0.15404 103.34255 0 0 0 0.16284 101.83015 0 0 0 0.17164 101.33101 0 0 0 0.18044 102.42886 0 0 0 0.18925 103.71058 0 0 0 0.19805 106.25275 0 0 0 0.20685 107.57556 0 0 0 0.21565 106.39062 0 0 0 0.22445 105.38878 0 0 0 0.23326 105.24754 0 0 0 0.24206 106.81343 0 0 0 0.25086 106.08336 0 0 0 0.25966 107.98292 0 0 0 0.26846 110.44847 0 0 0 0.27727 110.77061 0 0 0 0.28607 108.07317 0 0 0 0.29487 106.91381 0 0 0 0.30367 107.27669 0 0 0 0.31248 107.63299 0 0 0 0.32128 108.01053 0 0 0 0.33008 107.33631 0 0 0 0.33888 106.731 0 0 0 0.34768 107.10593 0 0 0 0.35649 108.2179 0 0 0 0.36529 109.00163 0 0 0 0.37409 109.63616 0 0 0 0.38289 109.90151 0 0 0 0.39169 109.54728 0 0 0 0.40050 109.47192 0 0 0 0.40930 109.97954 0 0 0 0.41810 110.38419 0 0 0 0.42690 109.67699 0 0 0 0.43570 109.14468 0 0 0 0.44451 109.67091 0 0 0 0.45331 109.84022 0 0 0 0.46211 109.89851 0 0 0 0.47091 108.32319 0 0 0 0.47972 108.83408 0 0 0 0.48852 108.06983 0 0 0 0.49732 107.98099 0 0 0 0.50612 108.30836 0 0 0 0.51492 108.82126 0 0 0 0.52373 109.29356 0 0 0 0.53253 109.32123 0 0 0 0.54133 108.88995 0 0 0 0.55013 108.84437 0 0 0 0.55893 108.61163 0 0 0 0.56774 108.89575 0 0 0 0.57654 108.19724 0 0 0 0.58534 107.81487 0 0 0 0.59414 107.65988 0 0 0 0.60295 107.965 0 0 0 0.61175 109.0432 0 0 0 0.62055 108.85032 0 0 0 0.62935 108.75168 0 0 0 0.63815 107.74306 0 0 0 0.64696 107.80807 0 0 0 0.65576 108.29897 0 0 0 0.66456 108.65636 0 0 0 0.67336 108.19984 0 0 0 0.68216 108.52702 0 0 0 0.69097 109.02901 0 0 0 0.69977 109.40594 0 0 0 0.70857 109.9277 0 0 0 0.71737 110.4421 0 0 0 0.72617 110.15372 0 0 0 0.73498 110.68184 0 0 0 0.74378 111.45992 0 0 0 0.75258 111.68642 0 0 0 0.76138 110.83942 0 0 0 0.77019 110.6117 0 0 0 0.77899 110.28368 0 0 0 0.78779 111.23403 0 0 0 0.79659 111.72392 0 0 0 0.80539 111.36301 0 0 0 0.81420 110.32693 0 0 0 0.82300 110.51771 0 0 0 0.83180 111.10314 0 0 0 0.84060 111.33791 0 0 0 0.84940 112.33342 0 0 0 0.85821 114.06413 0 0 0 0.86701 115.82854 0 0 0 0.87581 116.42042 0 0 0 0.88461 117.14435 0 0 0 0.89342 118.48019 0 0 0 0.90222 119.55003 0 0 0 0.91102 119.95261 0 0 0 0.91982 120.65401 0 0 0 0.92862 121.73213 0 0 0 0.93743 122.47989 0 0 0 0.94623 123.33062 0 0 0 0.95503 124.194 0 0 0 0.96383 128.13074 0 0 0 0.97263 133.18138 0 0 0 0.98144 132.86079 0 0 0 0.99024 130.36472 0 0 0 0.99904 131.00726 0 0 0 1.00784 135.46729 0 0 0 1.01664 142.24783 0 0 0 1.02545 145.34514 0 0 0 1.03425 151.19429 0 0 0 1.04305 157.65028 0 0 0 1.05185 169.18776 0 0 0 1.06066 173.4944 0 0 0 1.06946 185.80029 0 0 0 1.07826 192.17401 0 0 0 1.08706 197.63837 0 0 0 1.09586 201.25992 0 0 0 1.10467 206.95595 0 0 0 1.11347 215.50258 0 0 0 1.12227 221.95793 0 0 0 1.13107 227.60138 0 0 0 1.13987 231.25673 0 0 0 1.14868 233.57449 0 0 0 1.15748 236.49123 0 0 0 1.16628 239.18607 0 0 0 1.17508 243.04272 0 0 0 1.18389 244.97415 0 0 0 1.19269 247.70538 0 0 0 1.20149 249.80717 0 0 0 1.21029 252.36139 0 0 0 1.21909 253.75842 0 0 0 1.22790 254.92802 0 0 0 1.23670 256.52209 0 0 0 1.24550 258.16003 0 0 0 1.25430 260.90613 0 0 0 1.26310 263.33713 0 0 0 1.27191 265.56671 0 0 0 1.28071 267.67642 0 0 0 1.28951 268.68146 0 0 0 1.29831 270.20959 0 0 0 1.30711 270.93851 0 0 0 1.31592 272.78461 0 0 0 1.32472 273.80264 0 0 0 1.33352 276.28949 0 0 0 1.34232 277.73019 0 0 0 1.35113 279.82663 0 0 0 1.35993 282.61234 0 0 0 1.36873 284.17493 0 0 0 1.37753 285.04501 0 0 0 1.38633 285.24146 0 0 0 1.39514 286.94547 0 0 0 1.40394 288.07761 0 0 0 1.41274 288.55231 0 0 0 1.42154 288.44891 0 0 0 1.43034 289.75494 0 0 0 1.43915 291.23264 0 0 0 1.44795 292.92209 0 0 0 1.45675 294.7894 0 0 0 1.46555 295.31714 0 0 0 1.47436 295.7496 0 0 0 1.48316 296.40161 0 0 0 1.49196 298.10876 0 0 0 1.50076 299.33853 0 0 0 1.50956 300.30789 0 0 0 1.51837 302.76239 0 0 0 1.52717 304.99799 0 0 0 1.53597 307.16232 0 0 0 1.54477 307.026 0 0 0 1.55357 306.96176 0 0 0 1.56238 306.59689 0 0 0 1.57118 307.91653 0 0 0 1.57998 309.81442 0 0 0 1.58878 311.05304 0 0 0 1.59758 311.73618 0 0 0 1.60639 311.98611 0 0 0 1.61519 312.03632 0 0 0 1.62399 313.00568 0 0 0 1.63279 313.284 0 0 0 1.64160 314.36096 0 0 0 1.65040 315.9111 0 0 0 1.65920 317.05917 0 0 0 1.66800 317.76556 0 0 0 1.67680 318.68094 0 0 0 1.68561 318.76825 0 0 0 1.69441 318.57559 0 0 0 1.70321 319.22559 0 0 0 1.71201 320.57373 0 0 0 1.72081 320.97684 0 0 0 1.72962 321.03839 0 0 0 1.73842 321.62296 0 0 0 1.74722 323.24451 0 0 0 1.75602 325.55862 0 0 0 1.76483 326.72693 0 0 0 1.77363 327.09296 0 0 0 1.78243 327.11847 0 0 0 1.79123 327.48141 0 0 0 1.80003 328.47958 0 0 0 1.80884 330.30389 0 0 0 1.81764 330.85666 0 0 0 1.82644 329.80994 0 0 0 1.83524 330.08749 0 0 0 1.84404 331.16617 0 0 0 1.85285 331.7153 0 0 0 1.86165 332.41272 0 0 0 1.87045 333.89508 0 0 0 1.87925 335.49036 0 0 0 1.88805 336.40292 0 0 0 1.89686 336.93503 0 0 0 1.90566 339.16925 0 0 0 1.91446 340.2222 0 0 0 1.92326 339.86151 0 0 0 1.93207 339.39539 0 0 0 1.94087 340.02191 0 0 0 1.94967 340.34976 0 0 0 1.95847 340.80933 0 0 0 1.96727 341.73273 0 0 0 1.97608 342.0853 0 0 0 1.98488 342.19113 0 0 0 1.99368 342.39941 0 0 0 2.00248 344.01041 0 0 0 2.01128 344.70047 0 0 0 2.02009 344.38907 0 0 0 2.02889 344.37286 0 0 0 2.03769 345.36533 0 0 0 2.04649 346.97678 0 0 0 2.05530 347.60809 0 0 0 2.06410 348.62317 0 0 0 2.07290 349.4213 0 0 0 2.08170 349.96738 0 0 0 2.09050 350.12329 0 0 0 2.09931 350.15155 0 0 0 2.10811 350.44955 0 0 0 2.11691 351.09894 0 0 0 2.12571 352.16278 0 0 0 2.13451 352.59543 0 0 0 2.14332 352.41443 0 0 0 2.15212 352.67236 0 0 0 2.16092 353.95169 0 0 0 2.16972 354.34418 0 0 0 2.17852 354.3428 0 0 0 2.18733 354.87589 0 0 0 2.19613 355.89639 0 0 0 2.20493 358.0842 0 0 0 2.21373 358.90005 0 0 0 2.22254 359.3038 0 0 0 2.23134 359.13422 0 0 0 2.24014 359.70081 0 0 0 2.24894 360.46198 0 0 0 2.25774 360.77127 0 0 0 2.26655 360.32474 0 0 0 2.27535 360.62903 0 0 0 2.28415 360.87234 0 0 0 2.29295 361.22739 0 0 0 2.30175 361.25479 0 0 0 2.31056 362.28159 0 0 0 2.31936 363.48425 0 0 0 2.32816 363.57581 0 0 0 2.33696 363.61603 0 0 0 2.34576 364.94513 0 0 0 2.35457 366.28958 0 0 0 2.36337 367.44955 0 0 0 2.37217 366.66528 0 0 0 2.38097 365.78012 0 0 0 2.38978 365.89655 0 0 0 2.39858 367.017 0 0 0 2.40738 367.67709 0 0 0 2.41618 367.78226 0 0 0 2.42498 368.19437 0 0 0 2.43379 369.0502 0 0 0 2.44259 370.12698 0 0 0 2.45139 370.03052 0 0 0 2.46019 369.85385 0 0 0 2.46899 369.83105 0 0 0 2.47780 370.13846 0 0 0 2.48660 370.35193 0 0 0 2.49540 371.02731 0 0 0 2.50420 371.66895 0 0 0 2.51301 372.81418 0 0 0 2.52181 374.14636 0 0 0 2.53061 375.19543 0 0 0 2.53941 375.40857 0 0 0 2.54821 375.49362 0 0 0 2.55702 375.63721 0 0 0 2.56582 376.17502 0 0 0 2.57462 376.78418 0 0 0 2.58342 377.32831 0 0 0 2.59222 377.17648 0 0 0 2.60103 377.17957 0 0 0 2.60983 377.67828 0 0 0 2.61863 378.927 380.177675 380.140092 0.00263903 2.62743 379.5715 380.577912 380.540046 0.00263455 2.63624 379.74872 380.964683 380.92653 0.00263332 2.64504 379.47183 381.338717 381.300273 0.00263524 2.65384 379.03369 381.700755 381.662017 0.00263829 2.66264 378.49081 382.051476 382.01244 0.00264207 2.67144 378.31015 382.391547 382.352211 0.00264333 2.68025 379.76028 382.721604 382.681963 0.00263324 2.68905 381.58536 383.042291 383.002341 0.00262065 2.69785 382.06821 383.354197 383.313936 0.00261733 2.70665 381.51041 383.6579 383.617323 0.00262116 2.71545 381.65747 383.953965 383.913067 0.00262015 2.72426 382.19562 384.242916 384.201694 0.00261646 2.73306 382.92172 384.525291 384.483741 0.0026115 2.74186 383.61261 384.801579 384.759697 0.0026068 2.75066 383.50644 385.072261 385.030043 0.00260752 2.75946 383.22885 385.337789 385.29523 0.00260941 2.76827 383.39136 385.598624 385.555719 0.0026083 2.77707 384.2182 385.855182 385.811928 0.00260269 2.78587 385.14206 386.107871 386.064263 0.00259644 2.79467 386.02927 386.357081 386.313114 0.00259048 2.80348 386.58691 386.603194 386.558864 0.00258674 2.81228 387.23248 386.84657 386.801871 0.00258243 2.82108 387.52695 387.08755 387.042478 0.00258047 2.82988 387.00912 387.326456 387.281006 0.00258392 2.83868 387.9971 387.563618 387.517785 0.00257734 2.84749 388.11545 387.799329 387.753107 0.00257655 2.85629 387.75726 388.033875 387.987259 0.00257893 2.86509 387.97937 388.267526 388.220511 0.00257746 2.87389 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32.84511 188.24942 0 0 0 32.85391 178.43385 0 0 0 32.86271 171.97867 0 0 0 32.87152 177.86525 0 0 0 32.88032 189.14619 0 0 0 32.88912 194.82451 0 0 0 32.89792 202.53996 0 0 0 32.90673 198.18307 0 0 0 32.91553 183.28458 0 0 0 32.92433 180.27066 0 0 0 32.93313 187.76256 0 0 0 32.94193 189.97995 0 0 0 32.95074 189.64371 0 0 0 32.95954 189.04654 0 0 0 32.96834 191.40096 0 0 0 32.97714 190.02602 0 0 0 32.98594 179.32542 0 0 0 32.99475 172.90689 0 0 0 33.00355 167.61391 0 0 0 33.01235 171.28102 0 0 0 33.02115 187.39876 0 0 0 33.02996 189.85909 0 0 0 33.03876 181.88622 0 0 0 33.04756 169.31432 0 0 0 33.05636 162.5253 0 0 0 33.06516 165.65359 0 0 0 33.07397 170.14877 0 0 0 33.08277 181.18404 0 0 0 33.09157 198.14313 0 0 0 33.10037 206.06303 0 0 0 33.10917 203.16348 0 0 0 33.11798 198.31488 0 0 0 33.12678 195.71352 0 0 0 33.13558 199.80894 0 0 0 33.14438 196.22397 0 0 0 33.15318 190.38596 0 0 0 33.16199 188.5101 0 0 0 33.17079 190.38988 0 0 0 33.17959 193.45262 0 0 0 33.18839 185.1306 0 0 0 33.19720 178.93164 0 0 0 33.20600 186.46881 0 0 0 33.21480 199.30266 0 0 0 33.22360 186.94168 0 0 0 33.23240 176.34277 0 0 0 33.24121 181.07103 0 0 0 33.25001 186.85081 0 0 0 33.25881 193.55676 0 0 0 33.26761 190.00952 0 0 0 33.27641 185.83977 0 0 0 33.28522 194.51247 0 0 0 33.29402 202.87744 0 0 0 33.30282 207.10756 0 0 0 33.31162 209.05238 0 0 0 33.32042 198.02557 0 0 0 33.32923 190.68872 0 0 0 33.33803 185.62778 0 0 0 33.34683 187.53169 0 0 0 33.35563 199.64597 0 0 0 33.36444 207.39975 0 0 0 33.37324 212.08974 0 0 0 33.38204 198.97179 0 0 0 33.39084 188.62758 0 0 0 33.39964 191.54623 0 0 0 33.40845 201.39961 0 0 0 33.41725 208.9868 0 0 0 33.42605 200.02325 0 0 0 33.43485 186.64691 0 0 0 33.44365 182.965 0 0 0 33.45246 192.79039 0 0 0 33.46126 198.25429 0 0 0 33.47006 201.94141 0 0 0 33.47886 194.52655 0 0 0 33.48766 188.77083 0 0 0 33.49647 186.1205 0 0 0 33.50527 185.06703 0 0 0 33.51407 188.01105 0 0 0 33.52287 195.33783 0 0 0 33.53168 197.28654 0 0 0 33.54048 195.50865 0 0 0 33.54928 203.43938 0 0 0 33.55808 205.79773 0 0 0 33.56688 192.41823 0 0 0 33.57569 178.22141 0 0 0 33.58449 186.46721 0 0 0 33.59329 196.07268 0 0 0 33.60209 197.86153 0 0 0 33.61089 202.43927 0 0 0 33.61970 192.69038 0 0 0 33.62850 180.03337 0 0 0 33.63730 186.36798 0 0 0 33.64610 202.91577 0 0 0 33.65491 200.60155 0 0 0 33.66371 193.7231 0 0 0 33.67251 192.84225 0 0 0 33.68131 196.56291 0 0 0 33.69011 206.73985 0 0 0 33.69892 213.07999 0 0 0 33.70772 212.16342 0 0 0 33.71652 205.29099 0 0 0 33.72532 203.20389 0 0 0 33.73412 206.00807 0 0 0 33.74293 201.99809 0 0 0 33.75173 200.22153 0 0 0 33.76053 197.82304 0 0 0 33.76933 187.49962 0 0 0 33.77813 182.8967 0 0 0 33.78694 191.30504 0 0 0 33.79574 192.19014 0 0 0 33.80454 196.2963 0 0 0 33.81334 204.03679 0 0 0 33.82215 211.65997 0 0 0 33.83095 213.49664 0 0 0 33.83975 206.70596 0 0 0 33.84855 190.90662 0 0 0 33.85735 185.29108 0 0 0 33.86616 183.60791 0 0 0 33.87496 188.32053 0 0 0 33.88376 198.28989 0 0 0 33.89256 205.92374 0 0 0 33.90136 209.47722 0 0 0 33.91017 190.22346 0 0 0 33.91897 174.25836 0 0 0 33.92777 174.56064 0 0 0 33.93657 183.28293 0 0 0 33.94537 196.0661 0 0 0 33.95418 205.92548 0 0 0 33.96298 211.81438 0 0 0 33.97178 209.59227 0 0 0 33.98058 196.18201 0 0 0 33.98939 186.29512 0 0 0 33.99819 187.2448 0 0 0 34.00699 184.37451 0 0 0 34.01579 192.82626 0 0 0 34.02459 195.64333 0 0 0 34.03340 189.46213 0 0 0 34.04220 185.39978 0 0 0 34.05100 190.04335 0 0 0 34.05980 202.73927 0 0 0 34.06860 208.64154 0 0 0 34.07741 201.83095 0 0 0 34.08621 197.45897 0 0 0 34.09501 193.09836 0 0 0 34.10381 189.01053 0 0 0 34.11262 181.63191 0 0 0 34.12142 181.53282 0 0 0 34.13022 186.74469 0 0 0 34.13902 193.17906 0 0 0 34.14782 193.7608 0 0 0 34.15663 194.19455 0 0 0 34.16543 204.6046 0 0 0 34.17423 199.64442 0 0 0 34.18303 193.59923 0 0 0 34.19183 197.24384 0 0 0 34.20064 205.20816 0 0 0 34.20944 205.24696 0 0 0 34.21824 203.24463 0 0 0 34.22704 199.16011 0 0 0 34.23584 204.01968 0 0 0 34.24465 210.66705 0 0 0 34.25345 211.33076 0 0 0 34.26225 209.34282 0 0 0 34.27105 211.32791 0 0 0 34.27986 216.73921 0 0 0 34.28866 220.33337 0 0 0 34.29746 218.6788 0 0 0 34.30626 208.49261 0 0 0 34.31506 210.76535 0 0 0 34.32387 213.88025 0 0 0 34.33267 216.69455 0 0 0 34.34147 209.11646 0 0 0 34.35027 199.44481 0 0 0 34.35907 202.98929 0 0 0 34.36788 210.14137 0 0 0 34.37668 213.81239 0 0 0 34.38548 210.39786 0 0 0 34.39428 215.67635 0 0 0 34.40308 213.74123 0 0 0 34.41189 203.92595 0 0 0 34.42069 194.58803 0 0 0 34.42949 200.90898 0 0 0 34.43829 208.99413 0 0 0 34.44710 215.04272 0 0 0 34.45590 215.41457 0 0 0 34.46470 204.40077 0 0 0 34.47350 195.89857 0 0 0 34.48230 193.82841 0 0 0 34.49111 200.43202 0 0 0 34.49991 203.52625 0 0 0 34.50871 209.72469 0 0 0 34.51751 210.28345 0 0 0 34.52631 198.97168 0 0 0 34.53512 190.49741 0 0 0 34.54392 191.38142 0 0 0 34.55272 192.25247 0 0 0 34.56152 198.44954 0 0 0 34.57033 197.45105 0 0 0 34.57913 193.94183 0 0 0 34.58793 199.79858 0 0 0 34.59673 205.5876 0 0 0 34.60553 208.1351 0 0 0 34.61434 202.69885 0 0 0 34.62314 205.64595 0 0 0 34.63194 210.81528 0 0 0 34.64074 210.87834 0 0 0 34.64954 211.35202 0 0 0 34.65835 206.51826 0 0 0 34.66715 201.49478 0 0 0 34.67595 212.30722 0 0 0 34.68475 214.76401 0 0 0 34.69355 192.63985 0 0 0 34.70236 200.93985 0 0 0 34.71116 220.77844 0 0 0 34.71996 238.32137 0 0 0 34.72876 243.65054 0 0 0 34.73757 223.07166 0 0 0 34.74637 205.73875 0 0 0 34.75517 197.01025 0 0 0 34.76397 191.09702 0 0 0 34.77277 181.56917 0 0 0 34.78158 202.43178 0 0 0 34.79038 219.66208 0 0 0 34.79918 224.05235 0 0 0 34.80798 225.64447 0 0 0 34.81678 214.65707 0 0 0 34.82559 202.02916 0 0 0 34.83439 200.94737 0 0 0 34.84319 199.18074 0 0 0 34.85199 202.25142 0 0 0 34.86079 211.50584 0 0 0 34.86960 208.94347 0 0 0 34.87840 207.54008 0 0 0 34.88720 196.37802 0 0 0 34.89600 192.16014 0 0 0 34.90481 191.01474 0 0 0 34.91361 206.75969 0 0 0 34.92241 229.11473 0 0 0 34.93121 228.51738 0 0 0 34.94001 221.80544 0 0 0 34.94882 212.36263 0 0 0 34.95762 207.7692 0 0 0 34.96642 209.77956 0 0 0 34.97522 212.45839 0 0 0 34.98402 215.19279 0 0 0 34.99283 214.4384 0 0 0 35.00163 212.332 0 0 0 35.01043 215.70419 0 0 0 35.01923 219.29016 0 0 0 35.02804 224.0183 0 0 0 35.03684 216.31732 0 0 0 35.04564 211.79532 0 0 0 35.05444 212.49539 0 0 0 35.06324 218.60349 0 0 0 35.07205 225.94202 0 0 0 35.08085 224.34081 0 0 0 35.08965 217.5899 0 0 0 35.09845 211.65758 0 0 0 35.10725 218.45723 0 0 0 35.11606 220.51935 0 0 0 35.12486 216.36926 0 0 0 35.13366 203.72621 0 0 0 35.14246 197.38405 0 0 0 35.15126 208.01439 0 0 0 35.16007 213.30304 0 0 0 35.16887 215.88184 0 0 0 35.17767 204.27821 0 0 0 35.18647 203.9306 0 0 0 35.19528 205.91624 0 0 0 35.20408 208.38385 0 0 0 loop_ _gsas_i100_meas 0.24 20.65 3.38 4.59 3.22 0.55 8.54 10.76 3.03 100.00 13.28 0.15 9.36 0.35 7.91 27.77 0.48 0.60 16.09 5.09 1.45 0.30 -1.68 1.66 2.08 50.41 4.45 16.58 0.16 0.55 -0.55 1.86 0.00 2.41 0.96 0.27 0.21 0.30 7.15 5.71 6.19 0.89 0.91 0.35 0.05 0.71 0.70 0.23 19.88 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