#------------------------------------------------------------------------------ #$Date: 2025-07-01 13:39:59 +0300 (Tue, 01 Jul 2025) $ #$Revision: 1111 $ #$URL: svn://localhost/testcod/cif/7/20/00/7200005.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_7200005 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 2020-10-21T10:50 _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 94.552(5) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.1421(5) _cell_length_b 12.56168(22) _cell_length_c 4.4451(3) _cell_measurement_pressure 2.42e6(5) _cell_measurement_temperature 293 _cell_volume 286.22(3) _computing_data_reduction Fit2D _computing_structure_refinement 'GSAS-II (Toby & Von Dreele, J. Appl. Cryst. 46, 544-549, 2013)' _diffrn_ambient_pressure 2.42e6(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 4.5912 _exptl_crystal_description 'white powder' _pd_block_id 2020-10-21T10:50|clau1_006rietveld||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 2020-10-21T10:50 _pd_proc_ls_background_function ; Background function: "chebyschev" function with 20 terms: 711.6(17), 367(9), -448(29), -8.6(9)e2, 1.256(12)e4, 6.63(25)e3, -1.0537(9)e5, -1.266(9)e4, 4.1477(11)e5, -5.518(24)e4, -9.0932(3)e5, 3.1221(11)e5, 1.17520(10)e6, -6.3868(14)e5, -8.8473(13)e5, 6.6846(27)e5, 3.5422(5)e5, -3.5847(15)e5, -5.692(16)e4, 7.846(31)e4, ; _pd_proc_ls_pref_orient_corr ; Simple spherical harmonic correction Order = 6 Coefficients: 0:0:C(6,6) = 0.646(19); 0:0:C(4,4) = 1.049(26); 0:0:C(6,-2) = 0.105(21); 0:0:C(2,-2) = 0.380(14); 0:0:C(4,-4) = 0.176(18); 0:0:C(2,2) = 0.989(15); 0:0:C(4,0) = 0.373(18); 0:0:C(6,-6) = -0.398(25); 0:0:C(6,4) = -0.051(25); 0:0:C(4,2) = -0.042(17); 0:0:C(6,2) = 0.299(20); 0:0:C(6,-4) = -0.062(23); 0:0:C(6,0) = -0.125(24); 0:0:C(2,0) = 0.479(16); 0:0:C(4,-2) = -0.151(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 7.5(5)e2, -100(9), 4.7(4), 1.20(12), -18.2(29), 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 0.02139 _pd_proc_ls_prof_wR_expected 0.03543 _pd_proc_ls_prof_wR_factor 0.03361 _refine_ls_goodness_of_fit_all 0.975 _refine_ls_matrix_type full _refine_ls_number_parameters 62 _refine_ls_R_Fsqd_factor 0.76173 _refine_ls_shift/su_max 0.0006 _refine_ls_wR_factor_obs 0.03401 _reflns_d_resolution_high 1.192 _reflns_d_resolution_low 6.281 _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 177 _cod_data_source_file d0ce01401j3.cif _cod_data_source_block clau1_006rietveld _cod_original_cell_volume 286.221(17) _cod_database_code 7200005 _refine_ls_r_f_factor 0.15332 _gsas_proc_ls_prof_r_b_factor 0.03803 _gsas_proc_ls_prof_wr_b_factor 0.05162 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 0.2595(13) 0.09607(21) 0.0373(6) 1.000 Uiso 0.0208(14) 4 As2 As 0.3541(11) 0.35465(25) 0.0013(6) 1.000 Uiso 0.0208 4 O3 O 0.4301(21) 0.2183(4) 0.0320(27) 1.000 Uiso 0.0208 4 O4 O 0.6592(20) 0.4084(14) 0.1411(13) 1.000 Uiso 0.0208 4 O5 O -0.0406(24) 0.1512(15) 0.1315(18) 1.000 Uiso 0.0208 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 96.8(8) 1_555 1_555 4_454 yes O3 As1 O5 96.1(8) 1_555 1_555 1_555 yes O4 As1 O5 93.2(4) 4_454 1_555 1_555 yes O3 As2 O4 99.1(8) 1_555 1_555 1_555 yes O3 As2 O5 87.1(8) 1_555 1_555 4_554 yes O4 As2 O5 90.8(5) 1_555 1_555 4_554 yes As1 O3 As2 137.6(6) 1_555 1_555 1_555 yes As1 O4 As2 120.6(5) 4_555 1_555 1_555 yes As1 O5 As2 122.6(6) 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 1.770(4) 1_555 1_555 yes As1 O4 1.797(4) 1_555 4_454 yes As1 O5 1.771(4) 1_555 1_555 yes As2 O3 1.760(4) 1_555 1_555 yes As2 O4 1.774(4) 1_555 1_555 yes As2 O5 1.772(4) 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 101.78335 0 0 0 0.01320 102.3243 0 0 0 0.02201 103.24665 0 0 0 0.03081 104.60636 0 0 0 0.03961 105.05966 0 0 0 0.04841 105.72053 0 0 0 0.05721 104.62384 0 0 0 0.06602 106.72646 0 0 0 0.07482 109.67107 0 0 0 0.08362 112.11884 0 0 0 0.09242 112.09715 0 0 0 0.10122 111.31848 0 0 0 0.11003 111.13425 0 0 0 0.11883 109.65724 0 0 0 0.12763 109.09651 0 0 0 0.13643 107.7009 0 0 0 0.14523 106.58202 0 0 0 0.15404 107.0385 0 0 0 0.16284 107.22581 0 0 0 0.17164 108.28771 0 0 0 0.18044 108.39333 0 0 0 0.18925 107.55262 0 0 0 0.19805 106.53901 0 0 0 0.20685 106.24509 0 0 0 0.21565 106.90681 0 0 0 0.22445 108.25337 0 0 0 0.23326 108.24582 0 0 0 0.24206 107.32819 0 0 0 0.25086 107.43606 0 0 0 0.25966 108.60125 0 0 0 0.26846 110.17792 0 0 0 0.27727 109.69807 0 0 0 0.28607 109.92343 0 0 0 0.29487 109.93593 0 0 0 0.30367 111.45898 0 0 0 0.31248 111.02677 0 0 0 0.32128 110.15611 0 0 0 0.33008 108.41803 0 0 0 0.33888 107.54334 0 0 0 0.34768 108.17498 0 0 0 0.35649 109.22713 0 0 0 0.36529 110.05588 0 0 0 0.37409 109.62875 0 0 0 0.38289 109.39959 0 0 0 0.39169 110.05015 0 0 0 0.40050 110.45498 0 0 0 0.40930 109.70219 0 0 0 0.41810 108.76964 0 0 0 0.42690 108.82188 0 0 0 0.43570 109.11565 0 0 0 0.44451 109.36022 0 0 0 0.45331 109.75388 0 0 0 0.46211 109.17326 0 0 0 0.47091 108.30596 0 0 0 0.47972 108.67769 0 0 0 0.48852 109.36772 0 0 0 0.49732 110.20985 0 0 0 0.50612 110.48186 0 0 0 0.51492 110.67545 0 0 0 0.52373 109.96757 0 0 0 0.53253 109.4267 0 0 0 0.54133 109.62968 0 0 0 0.55013 110.43462 0 0 0 0.55893 110.86137 0 0 0 0.56774 110.68843 0 0 0 0.57654 110.53437 0 0 0 0.58534 110.42455 0 0 0 0.59414 109.71349 0 0 0 0.60295 109.30515 0 0 0 0.61175 109.51443 0 0 0 0.62055 109.22332 0 0 0 0.62935 109.10814 0 0 0 0.63815 109.8306 0 0 0 0.64696 109.71882 0 0 0 0.65576 109.81966 0 0 0 0.66456 110.47285 0 0 0 0.67336 111.07656 0 0 0 0.68216 111.35526 0 0 0 0.69097 110.96883 0 0 0 0.69977 110.95029 0 0 0 0.70857 110.50186 0 0 0 0.71737 110.31323 0 0 0 0.72617 110.37862 0 0 0 0.73498 110.45741 0 0 0 0.74378 109.99741 0 0 0 0.75258 110.06744 0 0 0 0.76138 110.71551 0 0 0 0.77019 111.67641 0 0 0 0.77899 111.40101 0 0 0 0.78779 111.08402 0 0 0 0.79659 110.52685 0 0 0 0.80539 111.16224 0 0 0 0.81420 112.61707 0 0 0 0.82300 114.1996 0 0 0 0.83180 114.55509 0 0 0 0.84060 114.50665 0 0 0 0.84940 115.67676 0 0 0 0.85821 116.58521 0 0 0 0.86701 117.74602 0 0 0 0.87581 116.95079 0 0 0 0.88461 117.54494 0 0 0 0.89342 118.40592 0 0 0 0.90222 119.52611 0 0 0 0.91102 120.15002 0 0 0 0.91982 121.08029 0 0 0 0.92862 123.87296 0 0 0 0.93743 126.83018 0 0 0 0.94623 129.65625 0 0 0 0.95503 131.00758 0 0 0 0.96383 131.94444 0 0 0 0.97263 131.75914 0 0 0 0.98144 134.09525 0 0 0 0.99024 135.08531 0 0 0 0.99904 137.01309 0 0 0 1.00784 141.25298 0 0 0 1.01664 146.56699 0 0 0 1.02545 150.71777 0 0 0 1.03425 157.68387 0 0 0 1.04305 163.40335 0 0 0 1.05185 171.7803 0 0 0 1.06066 176.9436 0 0 0 1.06946 188.38153 0 0 0 1.07826 195.50006 0 0 0 1.08706 200.97632 0 0 0 1.09586 202.72655 0 0 0 1.10467 207.51176 0 0 0 1.11347 213.54019 0 0 0 1.12227 220.10397 0 0 0 1.13107 225.39577 0 0 0 1.13987 230.10472 0 0 0 1.14868 233.8358 0 0 0 1.15748 236.3447 0 0 0 1.16628 237.49571 0 0 0 1.17508 240.28899 0 0 0 1.18389 242.76814 0 0 0 1.19269 246.39388 0 0 0 1.20149 248.3203 0 0 0 1.21029 250.52132 0 0 0 1.21909 251.91422 0 0 0 1.22790 255.19704 0 0 0 1.23670 257.97113 0 0 0 1.24550 260.37997 0 0 0 1.25430 262.25763 0 0 0 1.26310 264.26025 0 0 0 1.27191 266.31781 0 0 0 1.28071 267.39984 0 0 0 1.28951 269.49231 0 0 0 1.29831 271.517 0 0 0 1.30711 272.63135 0 0 0 1.31592 272.8609 0 0 0 1.32472 274.46222 0 0 0 1.33352 277.63611 0 0 0 1.34232 278.98917 0 0 0 1.35113 279.9808 0 0 0 1.35993 280.72394 0 0 0 1.36873 282.56378 0 0 0 1.37753 284.66461 0 0 0 1.38633 286.35202 0 0 0 1.39514 287.1857 0 0 0 1.40394 287.64032 0 0 0 1.41274 289.52432 0 0 0 1.42154 291.11432 0 0 0 1.43034 292.08026 0 0 0 1.43915 293.25806 0 0 0 1.44795 295.55698 0 0 0 1.45675 297.02792 0 0 0 1.46555 297.64816 0 0 0 1.47436 298.31668 0 0 0 1.48316 299.11795 0 0 0 1.49196 300.51471 0 0 0 1.50076 302.49002 0 0 0 1.50956 303.89716 0 0 0 1.51837 304.55011 0 0 0 1.52717 305.69 0 0 0 1.53597 306.5582 0 0 0 1.54477 306.995 0 0 0 1.55357 307.45462 0 0 0 1.56238 308.29257 0 0 0 1.57118 309.84967 0 0 0 1.57998 310.36823 0 0 0 1.58878 312.05072 0 0 0 1.59758 312.69293 0 0 0 1.60639 314.22729 0 0 0 1.61519 315.49847 0 0 0 1.62399 316.5441 0 0 0 1.63279 316.62265 0 0 0 1.64160 317.13431 0 0 0 1.65040 317.78387 0 0 0 1.65920 318.85516 0 0 0 1.66800 319.69321 0 0 0 1.67680 320.83563 0 0 0 1.68561 322.53674 0 0 0 1.69441 322.7692 0 0 0 1.70321 322.69638 0 0 0 1.71201 322.94232 0 0 0 1.72081 323.58133 0 0 0 1.72962 324.08456 0 0 0 1.73842 325.39117 0 0 0 1.74722 326.80347 0 0 0 1.75602 327.58182 0 0 0 1.76483 328.69058 0 0 0 1.77363 329.48633 0 0 0 1.78243 329.74539 0 0 0 1.79123 329.82083 0 0 0 1.80003 331.38638 0 0 0 1.80884 331.97736 0 0 0 1.81764 332.93835 0 0 0 1.82644 333.73459 0 0 0 1.83524 335.37476 0 0 0 1.84404 337.11227 0 0 0 1.85285 337.46725 0 0 0 1.86165 337.84521 0 0 0 1.87045 338.04871 0 0 0 1.87925 339.91415 0 0 0 1.88805 340.30347 0 0 0 1.89686 340.46649 0 0 0 1.90566 340.51236 0 0 0 1.91446 342.08066 0 0 0 1.92326 343.52631 0 0 0 1.93207 343.42526 0 0 0 1.94087 342.68124 0 0 0 1.94967 343.11276 0 0 0 1.95847 344.58215 0 0 0 1.96727 345.85202 0 0 0 1.97608 346.17331 0 0 0 1.98488 345.8418 0 0 0 1.99368 346.10345 0 0 0 2.00248 347.46442 0 0 0 2.01128 347.99683 0 0 0 2.02009 348.61203 0 0 0 2.02889 348.51529 0 0 0 2.03769 349.65649 0 0 0 2.04649 350.18857 0 0 0 2.05530 350.72211 0 0 0 2.06410 351.61166 0 0 0 2.07290 352.08017 0 0 0 2.08170 352.64621 0 0 0 2.09050 352.78769 0 0 0 2.09931 353.95242 0 0 0 2.10811 354.65393 0 0 0 2.11691 355.86194 0 0 0 2.12571 356.78366 0 0 0 2.13451 356.4873 0 0 0 2.14332 356.75864 0 0 0 2.15212 357.50452 0 0 0 2.16092 358.33694 0 0 0 2.16972 358.99323 0 0 0 2.17852 358.35657 0 0 0 2.18733 358.23865 0 0 0 2.19613 358.80029 0 0 0 2.20493 360.82556 0 0 0 2.21373 361.55008 0 0 0 2.22254 361.51889 0 0 0 2.23134 361.91861 0 0 0 2.24014 363.3602 0 0 0 2.24894 364.00168 0 0 0 2.25774 364.4068 0 0 0 2.26655 365.11469 0 0 0 2.27535 365.67865 0 0 0 2.28415 366.15717 0 0 0 2.29295 366.79361 0 0 0 2.30175 366.21021 0 0 0 2.31056 366.57935 0 0 0 2.31936 366.36774 0 0 0 2.32816 366.86841 0 0 0 2.33696 367.64651 0 0 0 2.34576 369.17212 0 0 0 2.35457 370.9082 0 0 0 2.36337 371.63818 0 0 0 2.37217 371.45285 0 0 0 2.38097 370.98608 0 0 0 2.38978 371.69601 0 0 0 2.39858 373.43295 0 0 0 2.40738 374.36267 0 0 0 2.41618 373.39514 0 0 0 2.42498 373.07693 0 0 0 2.43379 373.06821 0 0 0 2.44259 374.33914 0 0 0 2.45139 374.65851 0 0 0 2.46019 374.65872 0 0 0 2.46899 374.80386 0 0 0 2.47780 375.56604 0 0 0 2.48660 376.32797 0 0 0 2.49540 376.4761 0 0 0 2.50420 377.24521 0 0 0 2.51301 378.15909 0 0 0 2.52181 378.72104 0 0 0 2.53061 378.38486 0 0 0 2.53941 377.70407 0 0 0 2.54821 378.24863 0 0 0 2.55702 378.95541 0 0 0 2.56582 379.40744 0 0 0 2.57462 379.96933 0 0 0 2.58342 380.95059 0 0 0 2.59222 381.18454 0 0 0 2.60103 380.86664 0 0 0 2.60983 381.69437 0 0 0 2.61863 382.5213 0 0 0 2.62743 382.48328 0 0 0 2.63624 382.79321 0 0 0 2.64504 383.87592 0 0 0 2.65384 384.27673 0 0 0 2.66264 383.62067 390.717389 390.684358 0.002606742 2.67144 383.98764 390.348994 390.315611 0.00260425 2.68025 384.27972 390.020135 389.986395 0.002602271 2.68905 384.95541 389.729496 389.695391 0.002597703 2.69785 385.86786 389.475811 389.441335 0.002591561 2.70665 386.06195 389.257827 389.222972 0.002590258 2.71545 386.06815 389.0743 389.039059 0.002590216 2.72426 386.72287 388.92402 388.888386 0.002585831 2.73306 387.25235 388.80578 388.769746 0.002582295 2.74186 387.56104 388.718409 388.681966 0.002580239 2.75066 387.62646 388.66075 388.62389 0.002579803 2.75946 387.73523 388.631669 388.594384 0.00257908 2.76827 388.32645 388.630049 388.592331 0.002575153 2.77707 388.91507 388.654801 388.616641 0.002571255 2.78587 389.26828 388.704851 388.666239 0.002568922 2.79467 389.8862 388.77915 388.740077 0.002564851 2.80348 389.9061 388.876672 388.837128 0.00256472 2.81228 389.84543 388.99641 388.956386 0.002565119 2.82108 390.50073 389.13738 389.096865 0.002560815 2.82988 390.97702 389.298613 389.257596 0.002557695 2.83868 391.50363 389.47918 389.43765 0.002554255 2.84749 392.18365 389.678156 389.636103 0.002549826 2.85629 393.01099 389.894645 389.852055 0.002544458 2.86509 393.26514 390.127768 390.08463 0.002542814 2.87389 392.97809 390.37667 390.332972 0.002544671 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191.66672 0 0 0 32.95074 187.57875 0 0 0 32.95954 181.93828 0 0 0 32.96834 184.15962 0 0 0 32.97714 189.00316 0 0 0 32.98594 191.804 0 0 0 32.99475 186.60278 0 0 0 33.00355 186.1295 0 0 0 33.01235 189.87112 0 0 0 33.02115 192.26353 0 0 0 33.02996 186.73656 0 0 0 33.03876 181.82756 0 0 0 33.04756 186.81825 0 0 0 33.05636 193.05606 0 0 0 33.06516 197.10338 0 0 0 33.07397 194.10161 0 0 0 33.08277 182.81126 0 0 0 33.09157 169.64166 0 0 0 33.10037 170.01746 0 0 0 33.10917 178.48544 0 0 0 33.11798 193.12718 0 0 0 33.12678 194.80647 0 0 0 33.13558 183.99631 0 0 0 33.14438 170.55443 0 0 0 33.15318 169.07632 0 0 0 33.16199 178.89143 0 0 0 33.17079 186.57817 0 0 0 33.17959 191.63417 0 0 0 33.18839 197.69362 0 0 0 33.19720 197.46564 0 0 0 33.20600 189.38501 0 0 0 33.21480 182.16039 0 0 0 33.22360 188.54912 0 0 0 33.23240 194.6895 0 0 0 33.24121 192.32442 0 0 0 33.25001 191.76239 0 0 0 33.25881 193.55017 0 0 0 33.26761 195.00682 0 0 0 33.27641 192.49892 0 0 0 33.28522 184.1368 0 0 0 33.29402 181.96461 0 0 0 33.30282 179.80782 0 0 0 33.31162 180.41895 0 0 0 33.32042 188.7439 0 0 0 33.32923 193.64996 0 0 0 33.33803 199.1972 0 0 0 33.34683 195.61571 0 0 0 33.35563 191.09752 0 0 0 33.36444 198.34846 0 0 0 33.37324 202.4241 0 0 0 33.38204 190.89793 0 0 0 33.39084 185.27496 0 0 0 33.39964 185.80547 0 0 0 33.40845 189.60747 0 0 0 33.41725 189.56879 0 0 0 33.42605 192.41075 0 0 0 33.43485 197.97408 0 0 0 33.44365 200.40941 0 0 0 33.45246 203.9899 0 0 0 33.46126 199.60252 0 0 0 33.47006 194.584 0 0 0 33.47886 196.57652 0 0 0 33.48766 193.1714 0 0 0 33.49647 180.08641 0 0 0 33.50527 172.92046 0 0 0 33.51407 177.36435 0 0 0 33.52287 183.396 0 0 0 33.53168 182.53308 0 0 0 33.54048 182.15372 0 0 0 33.54928 177.97296 0 0 0 33.55808 178.26921 0 0 0 33.56688 180.22957 0 0 0 33.57569 182.39285 0 0 0 33.58449 193.66112 0 0 0 33.59329 193.72598 0 0 0 33.60209 190.94838 0 0 0 33.61089 190.87575 0 0 0 33.61970 193.32735 0 0 0 33.62850 194.75395 0 0 0 33.63730 199.2066 0 0 0 33.64610 199.34361 0 0 0 33.65491 192.07086 0 0 0 33.66371 190.25725 0 0 0 33.67251 183.76584 0 0 0 33.68131 182.65596 0 0 0 33.69011 186.21924 0 0 0 33.69892 180.16919 0 0 0 33.70772 178.13988 0 0 0 33.71652 185.15552 0 0 0 33.72532 207.78003 0 0 0 33.73412 215.27203 0 0 0 33.74293 205.10864 0 0 0 33.75173 202.08434 0 0 0 33.76053 208.60123 0 0 0 33.76933 211.06584 0 0 0 33.77813 203.05354 0 0 0 33.78694 203.86478 0 0 0 33.79574 197.90108 0 0 0 33.80454 189.30769 0 0 0 33.81334 186.3858 0 0 0 33.82215 180.37358 0 0 0 33.83095 173.68996 0 0 0 33.83975 183.11958 0 0 0 33.84855 190.47301 0 0 0 33.85735 190.42325 0 0 0 33.86616 192.53197 0 0 0 33.87496 184.08804 0 0 0 33.88376 180.44849 0 0 0 33.89256 185.20874 0 0 0 33.90136 188.51697 0 0 0 33.91017 198.78201 0 0 0 33.91897 214.47916 0 0 0 33.92777 214.84743 0 0 0 33.93657 205.7516 0 0 0 33.94537 202.52849 0 0 0 33.95418 208.28035 0 0 0 33.96298 204.463 0 0 0 33.97178 198.89027 0 0 0 33.98058 197.70821 0 0 0 33.98939 198.8046 0 0 0 33.99819 192.31873 0 0 0 34.00699 191.95168 0 0 0 34.01579 196.41107 0 0 0 34.02459 202.80562 0 0 0 34.03340 207.32527 0 0 0 34.04220 201.44122 0 0 0 34.05100 182.35785 0 0 0 34.05980 179.72537 0 0 0 34.06860 174.58214 0 0 0 34.07741 173.01372 0 0 0 34.08621 173.89438 0 0 0 34.09501 175.23759 0 0 0 34.10381 182.93933 0 0 0 34.11262 185.05127 0 0 0 34.12142 189.57568 0 0 0 34.13022 200.53329 0 0 0 34.13902 197.009 0 0 0 34.14782 204.43883 0 0 0 34.15663 203.64458 0 0 0 34.16543 188.50922 0 0 0 34.17423 187.15958 0 0 0 34.18303 187.39279 0 0 0 34.19183 189.40776 0 0 0 34.20064 191.01358 0 0 0 34.20944 189.57703 0 0 0 34.21824 195.10118 0 0 0 34.22704 207.01317 0 0 0 34.23584 214.15714 0 0 0 34.24465 207.59375 0 0 0 34.25345 190.48463 0 0 0 34.26225 187.24791 0 0 0 34.27105 186.58022 0 0 0 34.27986 192.61504 0 0 0 34.28866 213.59193 0 0 0 34.29746 221.33786 0 0 0 34.30626 209.89038 0 0 0 34.31506 203.89926 0 0 0 34.32387 204.46367 0 0 0 34.33267 206.08839 0 0 0 34.34147 208.23842 0 0 0 34.35027 207.39444 0 0 0 34.35907 207.50552 0 0 0 34.36788 208.21931 0 0 0 34.37668 207.15591 0 0 0 34.38548 204.85078 0 0 0 34.39428 202.98586 0 0 0 34.40308 202.88499 0 0 0 34.41189 198.68768 0 0 0 34.42069 202.41116 0 0 0 34.42949 210.06496 0 0 0 34.43829 213.91469 0 0 0 34.44710 208.45973 0 0 0 34.45590 203.59192 0 0 0 34.46470 205.03226 0 0 0 34.47350 206.60338 0 0 0 34.48230 205.31828 0 0 0 34.49111 199.37726 0 0 0 34.49991 190.56253 0 0 0 34.50871 194.84743 0 0 0 34.51751 202.94566 0 0 0 34.52631 205.638 0 0 0 34.53512 205.46458 0 0 0 34.54392 203.07977 0 0 0 34.55272 202.50243 0 0 0 34.56152 198.26387 0 0 0 34.57033 198.00591 0 0 0 34.57913 203.80568 0 0 0 34.58793 204.39642 0 0 0 34.59673 198.08112 0 0 0 34.60553 193.1335 0 0 0 34.61434 198.62436 0 0 0 34.62314 204.30112 0 0 0 34.63194 208.56387 0 0 0 34.64074 213.97159 0 0 0 34.64954 211.76894 0 0 0 34.65835 206.61902 0 0 0 34.66715 213.83498 0 0 0 34.67595 222.31369 0 0 0 34.68475 199.97295 0 0 0 34.69355 187.73688 0 0 0 34.70236 182.62564 0 0 0 34.71116 204.53067 0 0 0 34.71996 230.28543 0 0 0 34.72876 240.70772 0 0 0 34.73757 238.22369 0 0 0 34.74637 222.31212 0 0 0 34.75517 208.72672 0 0 0 34.76397 196.81187 0 0 0 34.77277 181.47466 0 0 0 34.78158 181.02063 0 0 0 34.79038 195.18251 0 0 0 34.79918 214.28986 0 0 0 34.80798 224.47253 0 0 0 34.81678 235.98289 0 0 0 34.82559 239.74881 0 0 0 34.83439 230.52077 0 0 0 34.84319 220.76039 0 0 0 34.85199 218.95782 0 0 0 34.86079 209.70158 0 0 0 34.86960 204.52451 0 0 0 34.87840 209.70834 0 0 0 34.88720 201.91856 0 0 0 34.89600 199.06227 0 0 0 34.90481 193.52814 0 0 0 34.91361 190.08514 0 0 0 34.92241 201.87563 0 0 0 34.93121 202.58496 0 0 0 34.94001 208.01321 0 0 0 34.94882 208.48535 0 0 0 34.95762 205.79672 0 0 0 34.96642 210.33601 0 0 0 34.97522 215.47664 0 0 0 34.98402 216.16693 0 0 0 34.99283 219.66383 0 0 0 35.00163 222.17261 0 0 0 35.01043 220.91869 0 0 0 35.01923 224.03203 0 0 0 35.02804 222.82094 0 0 0 35.03684 215.41446 0 0 0 35.04564 210.04411 0 0 0 35.05444 213.00862 0 0 0 35.06324 218.30431 0 0 0 35.07205 225.0289 0 0 0 35.08085 223.14311 0 0 0 35.08965 221.72871 0 0 0 35.09845 220.66257 0 0 0 35.10725 215.19618 0 0 0 35.11606 211.84554 0 0 0 35.12486 215.47009 0 0 0 35.13366 213.53247 0 0 0 35.14246 209.77817 0 0 0 35.15126 206.79292 0 0 0 35.16007 205.31448 0 0 0 35.16887 207.67348 0 0 0 35.17767 213.63858 0 0 0 35.18647 214.86018 0 0 0 35.19528 219.16876 0 0 0 35.20408 216.88933 0 0 0 loop_ _gsas_i100_meas 1.34 14.55 5.08 5.08 4.67 0.83 7.95 13.32 5.31 100.00 18.18 0.52 10.87 0.54 12.52 28.25 3.46 0.37 23.34 7.46 1.25 0.75 0.17 1.07 2.77 96.83 0.32 6.65 16.14 0.55 -0.04 0.78 0.35 2.57 1.68 0.12 0.02 0.08 5.88 8.88 7.50 1.36 0.22 0.26 0.08 0.78 1.35 0.38 26.16 0.63 5.40 2.58 2.04 0.01 0.24 2.09 0.11 3.28 5.87 0.42 0.06 11.39 21.51 0.03 2.79 -0.73 2.09 -0.05 1.76 0.46 0.00 0.85 1.84 2.60 -0.00 0.65 1.73 2.76 0.37 1.45 1.55 1.13 0.00 1.29 1.08 0.26 0.00 2.57 22.05 0.54 1.83 0.76 0.01 0.00 0.00 0.38 0.63 0.10 4.22 3.95 0.02 2.28 1.52 0.36 1.25 0.71 0.01 0.59 0.38 1.42 4.88 2.55 10.91 14.95 0.90 0.38 0.06 2.04 0.33 1.00 0.19 0.55 0.30 0.20 0.78 0.82 5.72 6.06 1.09 0.14 5.55 0.07 0.01 0.86 -0.00 2.01 0.05 0.31 0.02 0.00 0.08 0.79 0.77 -0.28 0.03 1.83 5.39 4.78 0.00 10.45 0.01 0.79 0.34 -7.04 3.73 1.10 -0.01 0.66 -0.02 0.45 4.49 0.06 1.47 0.10 0.00 0.57 2.05 0.81 1.46 0.00 0.37 0.24 0.16 1.28 0.52 0.73 1.30