#------------------------------------------------------------------------------ #$Date: 2025-07-01 13:39:59 +0300 (Tue, 01 Jul 2025) $ #$Revision: 1111 $ #$URL: svn://localhost/testcod/cif/7/20/00/7200003.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_7200003 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 2020-10-21T10:56 _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 94.413(3) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.2379(4) _cell_length_b 12.75457(17) _cell_length_c 4.49625(22) _cell_measurement_pressure 9.6e5(5) _cell_measurement_temperature 293 _cell_volume 299.49(3) _computing_data_reduction Fit2D _computing_structure_refinement 'GSAS-II (Toby & Von Dreele, J. Appl. Cryst. 46, 544-549, 2013)' _diffrn_ambient_pressure 9.6e5(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 4.3878 _exptl_crystal_description 'white powder' _pd_block_id 2020-10-21T10:56|clau1_004rietveld||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 2020-10-21T10:56 _pd_proc_ls_background_function ; Background function: "chebyschev" function with 20 terms: 695.9(13), 307(7), -613(21), 1.40(7)e3, 1.686(8)e4, -2.204(18)e4, -1.5080(7)e5, 1.4223(6)e5, 6.4095(8)e5, -4.6847(18)e5, -1.507328(26)e6, 8.4506(8)e5, 2.07054(7)e6, -8.1739(11)e5, -1.64906(10)e6, 3.4920(20)e5, 7.0179(4)e5, 5.48(11)e3, -1.2237(12)e5, -3.551(23)e4, ; _pd_proc_ls_pref_orient_corr ; Simple spherical harmonic correction Order = 6 Coefficients: 0:0:C(4,4) = 0.881(15); 0:0:C(6,6) = 0.383(13); 0:0:C(6,-2) = 0.054(16); 0:0:C(2,-2) = 0.399(9); 0:0:C(4,-4) = 0.208(12); 0:0:C(2,2) = 0.707(9); 0:0:C(4,0) = 0.083(13); 0:0:C(6,-6) = -0.289(17); 0:0:C(6,4) = -0.007(18); 0:0:C(4,2) = 0.054(13); 0:0:C(6,2) = 0.009(15); 0:0:C(6,-4) = 0.005(15); 0:0:C(6,0) = -0.105(16); 0:0:C(2,0) = 0.505(11); 0:0:C(4,-2) = -0.024(12); ; _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 4.8(4)e2, -70(6), 3.90(29), 60.49(9), -5.4(22), 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 0.01579 _pd_proc_ls_prof_wR_expected 0.03545 _pd_proc_ls_prof_wR_factor 0.02487 _refine_ls_goodness_of_fit_all 0.718 _refine_ls_matrix_type full _refine_ls_number_parameters 62 _refine_ls_R_Fsqd_factor 0.10166 _refine_ls_shift/su_max 0.0006 _refine_ls_wR_factor_obs 0.02508 _reflns_d_resolution_high 1.184 _reflns_d_resolution_low 6.377 _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 189 _cod_data_source_file d0ce01401j3.cif _cod_data_source_block clau1_004rietveld _cod_original_cell_volume 299.489(10) _cod_database_code 7200003 _refine_ls_r_f_factor 0.05325 _gsas_proc_ls_prof_r_b_factor 0.02574 _gsas_proc_ls_prof_wr_b_factor 0.03652 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 0.2580(8) 0.09841(15) 0.0498(4) 1.000 Uiso 0.0110(10) 4 As2 As 0.3509(6) 0.35202(16) 0.0071(4) 1.000 Uiso 0.0110 4 O3 O 0.4171(25) 0.2188(4) 0.0871(25) 1.000 Uiso 0.0110 4 O4 O 0.6589(17) 0.3967(8) 0.1633(14) 1.000 Uiso 0.0110 4 O5 O -0.0485(17) 0.1424(10) 0.1382(16) 1.000 Uiso 0.0110 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 99.4(5) 1_555 1_555 4_454 yes O3 As1 O5 97.7(6) 1_555 1_555 1_555 yes O4 As1 O5 90.4(4) 4_454 1_555 1_555 yes O3 As2 O4 93.9(5) 1_555 1_555 1_555 yes O3 As2 O5 99.3(6) 1_555 1_555 4_554 yes O4 As2 O5 91.7(4) 1_555 1_555 4_554 yes As1 O3 As2 137.8(7) 1_555 1_555 1_555 yes As1 O4 As2 125.3(5) 4_555 1_555 1_555 yes As1 O5 As2 124.0(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 1.749(6) 1_555 1_555 yes As1 O4 1.776(5) 1_555 4_454 yes As1 O5 1.774(6) 1_555 1_555 yes As2 O3 1.766(6) 1_555 1_555 yes As2 O4 1.802(6) 1_555 1_555 yes As2 O5 1.780(6) 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 106.2352 0 0 0 0.01320 103.66692 0 0 0 0.02201 103.10173 0 0 0 0.03081 103.21276 0 0 0 0.03961 102.09218 0 0 0 0.04841 101.90839 0 0 0 0.05721 102.79491 0 0 0 0.06602 106.1789 0 0 0 0.07482 107.79392 0 0 0 0.08362 108.78307 0 0 0 0.09242 106.40212 0 0 0 0.10122 104.48788 0 0 0 0.11003 103.63107 0 0 0 0.11883 103.30737 0 0 0 0.12763 103.66911 0 0 0 0.13643 103.92597 0 0 0 0.14523 103.18611 0 0 0 0.15404 103.12768 0 0 0 0.16284 103.66429 0 0 0 0.17164 104.91698 0 0 0 0.18044 104.96548 0 0 0 0.18925 105.62775 0 0 0 0.19805 105.63298 0 0 0 0.20685 105.53353 0 0 0 0.21565 106.20969 0 0 0 0.22445 107.83527 0 0 0 0.23326 108.79157 0 0 0 0.24206 110.05354 0 0 0 0.25086 111.23485 0 0 0 0.25966 111.51656 0 0 0 0.26846 110.24506 0 0 0 0.27727 110.72678 0 0 0 0.28607 110.8372 0 0 0 0.29487 109.27177 0 0 0 0.30367 109.04932 0 0 0 0.31248 110.17182 0 0 0 0.32128 110.60157 0 0 0 0.33008 111.12637 0 0 0 0.33888 111.19029 0 0 0 0.34768 111.93987 0 0 0 0.35649 111.08657 0 0 0 0.36529 111.62537 0 0 0 0.37409 111.94528 0 0 0 0.38289 113.17075 0 0 0 0.39169 111.88346 0 0 0 0.40050 111.24974 0 0 0 0.40930 111.93372 0 0 0 0.41810 112.69264 0 0 0 0.42690 111.67559 0 0 0 0.43570 111.74618 0 0 0 0.44451 112.10072 0 0 0 0.45331 111.92036 0 0 0 0.46211 110.55984 0 0 0 0.47091 108.87592 0 0 0 0.47972 108.57214 0 0 0 0.48852 109.17404 0 0 0 0.49732 109.57142 0 0 0 0.50612 109.06885 0 0 0 0.51492 110.56882 0 0 0 0.52373 111.01385 0 0 0 0.53253 111.58955 0 0 0 0.54133 112.35855 0 0 0 0.55013 111.82593 0 0 0 0.55893 109.93787 0 0 0 0.56774 109.47234 0 0 0 0.57654 109.17015 0 0 0 0.58534 109.74603 0 0 0 0.59414 109.32787 0 0 0 0.60295 109.62469 0 0 0 0.61175 110.58192 0 0 0 0.62055 110.8735 0 0 0 0.62935 109.62521 0 0 0 0.63815 108.80019 0 0 0 0.64696 109.19581 0 0 0 0.65576 110.15353 0 0 0 0.66456 110.76132 0 0 0 0.67336 111.40591 0 0 0 0.68216 110.98885 0 0 0 0.69097 111.25455 0 0 0 0.69977 111.01904 0 0 0 0.70857 111.66063 0 0 0 0.71737 110.78084 0 0 0 0.72617 110.54913 0 0 0 0.73498 110.60668 0 0 0 0.74378 111.40248 0 0 0 0.75258 112.31097 0 0 0 0.76138 112.56553 0 0 0 0.77019 111.83414 0 0 0 0.77899 111.68676 0 0 0 0.78779 111.45267 0 0 0 0.79659 112.23576 0 0 0 0.80539 112.85327 0 0 0 0.81420 113.71081 0 0 0 0.82300 113.90401 0 0 0 0.83180 113.48788 0 0 0 0.84060 114.16917 0 0 0 0.84940 114.88725 0 0 0 0.85821 114.87755 0 0 0 0.86701 115.75178 0 0 0 0.87581 118.96272 0 0 0 0.88461 120.82455 0 0 0 0.89342 121.36989 0 0 0 0.90222 120.98208 0 0 0 0.91102 122.04312 0 0 0 0.91982 123.06406 0 0 0 0.92862 123.34493 0 0 0 0.93743 124.74711 0 0 0 0.94623 129.40816 0 0 0 0.95503 132.7812 0 0 0 0.96383 134.77875 0 0 0 0.97263 132.64343 0 0 0 0.98144 132.67191 0 0 0 0.99024 134.54662 0 0 0 0.99904 137.79196 0 0 0 1.00784 139.30583 0 0 0 1.01664 144.77663 0 0 0 1.02545 150.98676 0 0 0 1.03425 157.95566 0 0 0 1.04305 161.53152 0 0 0 1.05185 167.95047 0 0 0 1.06066 174.69301 0 0 0 1.06946 186.76292 0 0 0 1.07826 193.15208 0 0 0 1.08706 197.21764 0 0 0 1.09586 201.60182 0 0 0 1.10467 207.83072 0 0 0 1.11347 216.53442 0 0 0 1.12227 222.42221 0 0 0 1.13107 228.24564 0 0 0 1.13987 232.33775 0 0 0 1.14868 236.12422 0 0 0 1.15748 237.84973 0 0 0 1.16628 240.06125 0 0 0 1.17508 242.86487 0 0 0 1.18389 244.23962 0 0 0 1.19269 246.72212 0 0 0 1.20149 248.24762 0 0 0 1.21029 249.98135 0 0 0 1.21909 252.66782 0 0 0 1.22790 255.68727 0 0 0 1.23670 258.5679 0 0 0 1.24550 260.58405 0 0 0 1.25430 262.95633 0 0 0 1.26310 264.24457 0 0 0 1.27191 265.96487 0 0 0 1.28071 266.03802 0 0 0 1.28951 267.15991 0 0 0 1.29831 268.94174 0 0 0 1.30711 271.53052 0 0 0 1.31592 273.54276 0 0 0 1.32472 274.75851 0 0 0 1.33352 277.63089 0 0 0 1.34232 278.93497 0 0 0 1.35113 279.67932 0 0 0 1.35993 280.19751 0 0 0 1.36873 282.03903 0 0 0 1.37753 283.61377 0 0 0 1.38633 284.87543 0 0 0 1.39514 285.35678 0 0 0 1.40394 286.33289 0 0 0 1.41274 287.59872 0 0 0 1.42154 288.70538 0 0 0 1.43034 290.49133 0 0 0 1.43915 290.40381 0 0 0 1.44795 291.40771 0 0 0 1.45675 293.27881 0 0 0 1.46555 295.52011 0 0 0 1.47436 296.62561 0 0 0 1.48316 296.48834 0 0 0 1.49196 296.51114 0 0 0 1.50076 297.41531 0 0 0 1.50956 299.07379 0 0 0 1.51837 299.99945 0 0 0 1.52717 301.42371 0 0 0 1.53597 302.77286 0 0 0 1.54477 304.76089 0 0 0 1.55357 305.24252 0 0 0 1.56238 305.01212 0 0 0 1.57118 306.07486 0 0 0 1.57998 306.85345 0 0 0 1.58878 307.2056 0 0 0 1.59758 308.08463 0 0 0 1.60639 309.84415 0 0 0 1.61519 311.73846 0 0 0 1.62399 312.97589 0 0 0 1.63279 313.66519 0 0 0 1.64160 313.54047 0 0 0 1.65040 313.79132 0 0 0 1.65920 315.12689 0 0 0 1.66800 315.7562 0 0 0 1.67680 316.66339 0 0 0 1.68561 316.8826 0 0 0 1.69441 318.28778 0 0 0 1.70321 318.70743 0 0 0 1.71201 319.16949 0 0 0 1.72081 319.49677 0 0 0 1.72962 320.76678 0 0 0 1.73842 320.67569 0 0 0 1.74722 320.22263 0 0 0 1.75602 320.81671 0 0 0 1.76483 322.98419 0 0 0 1.77363 324.49634 0 0 0 1.78243 325.94498 0 0 0 1.79123 327.98456 0 0 0 1.80003 328.3046 0 0 0 1.80884 327.98352 0 0 0 1.81764 329.10239 0 0 0 1.82644 330.26019 0 0 0 1.83524 330.49774 0 0 0 1.84404 331.58533 0 0 0 1.85285 333.05069 0 0 0 1.86165 332.9248 0 0 0 1.87045 331.8399 0 0 0 1.87925 332.22964 0 0 0 1.88805 333.91953 0 0 0 1.89686 335.25256 0 0 0 1.90566 335.517 0 0 0 1.91446 335.11099 0 0 0 1.92326 335.38498 0 0 0 1.93207 336.08435 0 0 0 1.94087 338.04388 0 0 0 1.94967 338.50879 0 0 0 1.95847 338.77692 0 0 0 1.96727 339.90164 0 0 0 1.97608 341.40714 0 0 0 1.98488 342.35974 0 0 0 1.99368 342.31073 0 0 0 2.00248 342.20047 0 0 0 2.01128 342.81586 0 0 0 2.02009 344.06656 0 0 0 2.02889 343.96841 0 0 0 2.03769 344.51758 0 0 0 2.04649 344.97714 0 0 0 2.05530 344.80682 0 0 0 2.06410 345.59946 0 0 0 2.07290 346.0704 0 0 0 2.08170 347.1391 0 0 0 2.09050 348.20566 0 0 0 2.09931 349.34366 0 0 0 2.10811 349.2388 0 0 0 2.11691 349.22037 0 0 0 2.12571 350.27811 0 0 0 2.13451 351.13495 0 0 0 2.14332 351.38351 0 0 0 2.15212 350.77646 0 0 0 2.16092 351.66434 0 0 0 2.16972 352.95447 0 0 0 2.17852 354.01416 0 0 0 2.18733 355.28577 0 0 0 2.19613 355.79193 0 0 0 2.20493 356.08539 0 0 0 2.21373 355.68265 0 0 0 2.22254 356.05884 0 0 0 2.23134 356.76419 0 0 0 2.24014 358.30682 0 0 0 2.24894 358.19836 0 0 0 2.25774 357.47101 0 0 0 2.26655 358.22675 0 0 0 2.27535 359.98734 0 0 0 2.28415 360.46091 0 0 0 2.29295 360.11575 0 0 0 2.30175 360.41193 0 0 0 2.31056 361.97867 0 0 0 2.31936 362.71075 0 0 0 2.32816 362.91119 0 0 0 2.33696 363.43765 0 0 0 2.34576 363.89999 0 0 0 2.35457 364.90665 0 0 0 2.36337 365.56049 0 0 0 2.37217 365.4509 0 0 0 2.38097 365.19547 0 0 0 2.38978 366.01495 0 0 0 2.39858 367.09079 0 0 0 2.40738 366.60123 0 0 0 2.41618 366.31195 377.577763 377.535116 0.002729914 2.42498 366.74466 376.268933 376.225852 0.002726693 2.43379 367.13501 375.092553 375.049031 0.002723794 2.44259 367.63635 374.042 373.998029 0.002720079 2.45139 368.53882 373.110852 373.066424 0.002713418 2.46019 368.33109 372.29298 372.248088 0.002714949 2.46899 368.4303 371.582381 371.537017 0.002714218 2.47780 369.1012 370.973359 370.927514 0.002709284 2.48660 369.57428 370.460394 370.41406 0.002705816 2.49540 369.26279 370.038188 369.991356 0.002708098 2.50420 369.16257 369.701599 369.65426 0.002708834 2.51301 370.35519 369.445725 369.397869 0.002700111 2.52181 370.80942 369.265835 369.217454 0.002696803 2.53061 370.56161 369.157381 369.108465 0.002698607 2.53941 372.27188 369.11599 369.066529 0.002686209 2.54821 374.29083 369.137468 369.087452 0.002671719 2.55702 374.95197 369.217787 369.167205 0.002667008 2.56582 374.9809 369.353076 369.301917 0.002666802 2.57462 374.76022 369.539634 369.487888 0.002668373 2.58342 375.11252 369.773905 369.721559 0.002665867 2.59222 375.43723 370.052482 369.999526 0.002663561 2.60103 377.43457 370.372101 370.318521 0.002649466 2.60983 377.28406 370.729638 370.675423 0.002650523 2.61863 376.25723 371.122116 371.067253 0.002657756 2.62743 375.89307 371.546683 371.491158 0.002660331 2.63624 376.72333 372.000608 371.944409 0.002654468 2.64504 377.9162 372.481272 372.424384 0.002646089 2.65384 378.961 372.986224 372.928634 0.002638794 2.66264 379.30646 373.513083 373.454775 0.002636391 2.67144 379.39096 374.059593 374.000552 0.002635803 2.68025 379.06708 374.623589 374.563799 0.002638056 2.68905 379.55237 375.203068 375.142514 0.002634683 2.69785 379.71848 375.796073 375.734737 0.00263353 2.70665 380.13837 376.400756 376.338622 0.002630621 2.71545 379.67889 377.015385 376.952434 0.002633805 2.72426 380.27158 377.638279 377.574493 0.0026297 2.73306 381.38144 378.267915 378.203276 0.002622047 2.74186 381.98694 378.902793 378.83728 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31.84167 848.52063 0 0 0 31.85047 846.77063 0 0 0 31.85927 847.55096 0 0 0 31.86807 851.05829 0 0 0 31.87688 852.02087 0 0 0 31.88568 846.56903 0 0 0 31.89448 845.3327 0 0 0 31.90328 847.7265 0 0 0 31.91209 845.3985 0 0 0 31.92089 845.28809 0 0 0 31.92969 845.6637 0 0 0 31.93849 847.55573 0 0 0 31.94729 845.51904 0 0 0 31.95610 844.09698 0 0 0 31.96490 843.03802 0 0 0 31.97370 839.44031 0 0 0 31.98250 840.57513 0 0 0 31.99130 838.73505 0 0 0 32.00011 835.56433 0 0 0 32.00891 843.58282 0 0 0 32.01771 853.60754 0 0 0 32.02651 851.50787 0 0 0 32.03532 843.69128 0 0 0 32.04412 840.78192 0 0 0 32.05292 841.85986 0 0 0 32.06172 839.78973 0 0 0 32.07052 838.8075 0 0 0 32.07933 837.94183 0 0 0 32.08813 834.48248 0 0 0 32.09693 833.03735 0 0 0 32.10573 839.05377 0 0 0 32.11454 843.32843 0 0 0 32.12334 841.11261 0 0 0 32.13214 841.48187 0 0 0 32.14094 838.45978 0 0 0 32.14974 840.97772 0 0 0 32.15855 842.18298 0 0 0 32.16735 844.38434 0 0 0 32.17615 847.59436 0 0 0 32.18495 847.35297 0 0 0 32.19375 851.099 0 0 0 32.20256 851.42517 0 0 0 32.21136 846.45319 0 0 0 32.22016 841.77887 0 0 0 32.22896 839.64221 0 0 0 32.23776 839.06299 0 0 0 32.24657 834.50043 0 0 0 32.25537 826.24695 0 0 0 32.26417 828.90918 0 0 0 32.27297 836.51324 0 0 0 32.28178 834.53864 0 0 0 32.29058 830.89258 0 0 0 32.29938 824.68726 0 0 0 32.30818 828.93207 0 0 0 32.31698 829.36859 0 0 0 32.32579 823.45404 0 0 0 32.33459 822.8446 0 0 0 32.34339 820.99976 0 0 0 32.35219 818.6131 0 0 0 32.36099 817.75604 0 0 0 32.36980 817.28595 0 0 0 32.37860 816.99841 0 0 0 32.38740 822.90753 0 0 0 32.39620 816.93036 0 0 0 32.40500 814.80859 0 0 0 32.41381 818.04144 0 0 0 32.42261 819.34814 0 0 0 32.43141 815.71332 0 0 0 32.44021 809.61115 0 0 0 32.44902 814.39069 0 0 0 32.45782 828.27899 0 0 0 32.46662 831.67792 0 0 0 32.47542 822.55853 0 0 0 32.48422 823.53156 0 0 0 32.49303 824.03912 0 0 0 32.50183 824.3598 0 0 0 32.51063 810.55914 0 0 0 32.51943 796.14557 0 0 0 32.52823 800.87463 0 0 0 32.53704 812.77185 0 0 0 32.54584 806.93268 0 0 0 32.55464 799.32605 0 0 0 32.56344 803.47266 0 0 0 32.57225 806.11871 0 0 0 32.58105 801.61694 0 0 0 32.58985 791.19769 0 0 0 32.59865 786.0672 0 0 0 32.60745 785.75214 0 0 0 32.61626 791.19495 0 0 0 32.62506 781.89862 0 0 0 32.63386 775.2373 0 0 0 32.64266 779.25024 0 0 0 32.65146 775.53015 0 0 0 32.66027 774.13123 0 0 0 32.66907 761.72559 0 0 0 32.67787 754.55188 0 0 0 32.68667 754.43744 0 0 0 32.69547 756.17609 0 0 0 32.70428 757.06366 0 0 0 32.71308 748.0271 0 0 0 32.72188 737.67749 0 0 0 32.73068 743.13123 0 0 0 32.73949 723.88873 0 0 0 32.74829 713.70099 0 0 0 32.75709 702.3175 0 0 0 32.76589 679.68854 0 0 0 32.77469 656.93427 0 0 0 32.78350 643.90271 0 0 0 32.79230 620.76404 0 0 0 32.80110 574.66278 0 0 0 32.80990 544.01953 0 0 0 32.81870 495.47906 0 0 0 32.82751 415.29691 0 0 0 32.83631 268.61047 0 0 0 32.84511 172.26331 0 0 0 32.85391 179.66353 0 0 0 32.86271 183.38757 0 0 0 32.87152 182.96011 0 0 0 32.88032 172.1295 0 0 0 32.88912 165.58643 0 0 0 32.89792 172.33311 0 0 0 32.90673 183.29193 0 0 0 32.91553 187.01387 0 0 0 32.92433 190.12999 0 0 0 32.93313 188.0289 0 0 0 32.94193 188.02713 0 0 0 32.95074 180.4814 0 0 0 32.95954 169.38515 0 0 0 32.96834 168.31419 0 0 0 32.97714 177.19963 0 0 0 32.98594 183.79573 0 0 0 32.99475 185.02797 0 0 0 33.00355 186.16734 0 0 0 33.01235 191.94836 0 0 0 33.02115 185.62331 0 0 0 33.02996 164.78963 0 0 0 33.03876 152.15382 0 0 0 33.04756 160.23279 0 0 0 33.05636 166.26772 0 0 0 33.06516 170.93947 0 0 0 33.07397 172.55116 0 0 0 33.08277 169.19226 0 0 0 33.09157 175.52161 0 0 0 33.10037 181.65572 0 0 0 33.10917 187.66434 0 0 0 33.11798 193.07259 0 0 0 33.12678 195.77232 0 0 0 33.13558 195.41443 0 0 0 33.14438 193.12251 0 0 0 33.15318 189.98947 0 0 0 33.16199 190.192 0 0 0 33.17079 185.62331 0 0 0 33.17959 187.64421 0 0 0 33.18839 195.80898 0 0 0 33.19720 196.5296 0 0 0 33.20600 188.92361 0 0 0 33.21480 189.85091 0 0 0 33.22360 195.81726 0 0 0 33.23240 199.64662 0 0 0 33.24121 197.68243 0 0 0 33.25001 189.07986 0 0 0 33.25881 188.77533 0 0 0 33.26761 182.76497 0 0 0 33.27641 164.98878 0 0 0 33.28522 163.67134 0 0 0 33.29402 183.93358 0 0 0 33.30282 187.17955 0 0 0 33.31162 178.79526 0 0 0 33.32042 176.66121 0 0 0 33.32923 186.68317 0 0 0 33.33803 201.65508 0 0 0 33.34683 206.58617 0 0 0 33.35563 200.37634 0 0 0 33.36444 193.17365 0 0 0 33.37324 194.58929 0 0 0 33.38204 197.17531 0 0 0 33.39084 194.44463 0 0 0 33.39964 195.61174 0 0 0 33.40845 196.99063 0 0 0 33.41725 192.02464 0 0 0 33.42605 189.72711 0 0 0 33.43485 196.02495 0 0 0 33.44365 200.64787 0 0 0 33.45246 196.55913 0 0 0 33.46126 188.23361 0 0 0 33.47006 200.56104 0 0 0 33.47886 208.83961 0 0 0 33.48766 199.77585 0 0 0 33.49647 193.67221 0 0 0 33.50527 197.6263 0 0 0 33.51407 208.98566 0 0 0 33.52287 212.64003 0 0 0 33.53168 207.53139 0 0 0 33.54048 192.78453 0 0 0 33.54928 184.54929 0 0 0 33.55808 186.51515 0 0 0 33.56688 188.78465 0 0 0 33.57569 194.94441 0 0 0 33.58449 199.3405 0 0 0 33.59329 199.97119 0 0 0 33.60209 198.17424 0 0 0 33.61089 195.99609 0 0 0 33.61970 191.07114 0 0 0 33.62850 186.58705 0 0 0 33.63730 192.47984 0 0 0 33.64610 193.19341 0 0 0 33.65491 195.06645 0 0 0 33.66371 200.65248 0 0 0 33.67251 200.88884 0 0 0 33.68131 197.9187 0 0 0 33.69011 207.44017 0 0 0 33.69892 225.18167 0 0 0 33.70772 226.60573 0 0 0 33.71652 218.98282 0 0 0 33.72532 218.72559 0 0 0 33.73412 210.2731 0 0 0 33.74293 192.12291 0 0 0 33.75173 181.9725 0 0 0 33.76053 181.67038 0 0 0 33.76933 192.0096 0 0 0 33.77813 205.55421 0 0 0 33.78694 204.0665 0 0 0 33.79574 203.86334 0 0 0 33.80454 207.86203 0 0 0 33.81334 215.31734 0 0 0 33.82215 211.73787 0 0 0 33.83095 206.71045 0 0 0 33.83975 208.87387 0 0 0 33.84855 209.43631 0 0 0 33.85735 214.97198 0 0 0 33.86616 222.3414 0 0 0 33.87496 214.0573 0 0 0 33.88376 204.32425 0 0 0 33.89256 200.01416 0 0 0 33.90136 190.26575 0 0 0 33.91017 192.76935 0 0 0 33.91897 194.73466 0 0 0 33.92777 191.36923 0 0 0 33.93657 189.96579 0 0 0 33.94537 196.09471 0 0 0 33.95418 203.00696 0 0 0 33.96298 200.48668 0 0 0 33.97178 203.94557 0 0 0 33.98058 202.19611 0 0 0 33.98939 197.2608 0 0 0 33.99819 202.43224 0 0 0 34.00699 208.18634 0 0 0 34.01579 207.20139 0 0 0 34.02459 196.8613 0 0 0 34.03340 195.31491 0 0 0 34.04220 198.916 0 0 0 34.05100 196.40265 0 0 0 34.05980 197.65326 0 0 0 34.06860 205.02437 0 0 0 34.07741 209.02138 0 0 0 34.08621 207.38556 0 0 0 34.09501 194.89633 0 0 0 34.10381 191.22917 0 0 0 34.11262 202.96477 0 0 0 34.12142 200.54225 0 0 0 34.13022 195.21793 0 0 0 34.13902 200.95744 0 0 0 34.14782 196.75546 0 0 0 34.15663 195.2103 0 0 0 34.16543 189.53949 0 0 0 34.17423 186.59766 0 0 0 34.18303 196.83649 0 0 0 34.19183 195.86131 0 0 0 34.20064 198.29071 0 0 0 34.20944 203.49039 0 0 0 34.21824 201.54187 0 0 0 34.22704 203.18098 0 0 0 34.23584 203.06766 0 0 0 34.24465 198.9996 0 0 0 34.25345 195.631 0 0 0 34.26225 198.44389 0 0 0 34.27105 193.37085 0 0 0 34.27986 196.0936 0 0 0 34.28866 210.56581 0 0 0 34.29746 219.65022 0 0 0 34.30626 203.94698 0 0 0 34.31506 189.03632 0 0 0 34.32387 188.51947 0 0 0 34.33267 197.76169 0 0 0 34.34147 205.38332 0 0 0 34.35027 211.63751 0 0 0 34.35907 212.74092 0 0 0 34.36788 214.01923 0 0 0 34.37668 215.85265 0 0 0 34.38548 208.26857 0 0 0 34.39428 205.62054 0 0 0 34.40308 210.04378 0 0 0 34.41189 203.58319 0 0 0 34.42069 200.6058 0 0 0 34.42949 208.55421 0 0 0 34.43829 213.36255 0 0 0 34.44710 208.34024 0 0 0 34.45590 196.02068 0 0 0 34.46470 198.89864 0 0 0 34.47350 207.09193 0 0 0 34.48230 208.35519 0 0 0 34.49111 216.94832 0 0 0 34.49991 218.88748 0 0 0 34.50871 209.44148 0 0 0 34.51751 197.95052 0 0 0 34.52631 192.44438 0 0 0 34.53512 201.38951 0 0 0 34.54392 205.60326 0 0 0 34.55272 200.32333 0 0 0 34.56152 201.62508 0 0 0 34.57033 206.11165 0 0 0 34.57913 209.58112 0 0 0 34.58793 209.48587 0 0 0 34.59673 207.46852 0 0 0 34.60553 203.58464 0 0 0 34.61434 197.16042 0 0 0 34.62314 196.99719 0 0 0 34.63194 204.37343 0 0 0 34.64074 204.22801 0 0 0 34.64954 193.17603 0 0 0 34.65835 190.15326 0 0 0 34.66715 196.2373 0 0 0 34.67595 200.73883 0 0 0 34.68475 194.5276 0 0 0 34.69355 211.06906 0 0 0 34.70236 219.79601 0 0 0 34.71116 216.6275 0 0 0 34.71996 212.14752 0 0 0 34.72876 207.27457 0 0 0 34.73757 216.73599 0 0 0 34.74637 232.41957 0 0 0 34.75517 231.1066 0 0 0 34.76397 229.21895 0 0 0 34.77277 213.4348 0 0 0 34.78158 200.50818 0 0 0 34.79038 208.94098 0 0 0 34.79918 215.61179 0 0 0 34.80798 213.98082 0 0 0 34.81678 210.98059 0 0 0 34.82559 207.73428 0 0 0 34.83439 207.42676 0 0 0 34.84319 213.98381 0 0 0 34.85199 215.70685 0 0 0 34.86079 203.99269 0 0 0 34.86960 203.26775 0 0 0 34.87840 200.71654 0 0 0 34.88720 197.02209 0 0 0 34.89600 201.9536 0 0 0 34.90481 195.19084 0 0 0 34.91361 196.38176 0 0 0 34.92241 207.26506 0 0 0 34.93121 213.04192 0 0 0 34.94001 205.79091 0 0 0 34.94882 203.23972 0 0 0 34.95762 210.70314 0 0 0 34.96642 216.96066 0 0 0 34.97522 215.32896 0 0 0 34.98402 213.15501 0 0 0 34.99283 216.379 0 0 0 35.00163 219.39223 0 0 0 35.01043 216.67738 0 0 0 35.01923 210.00934 0 0 0 35.02804 206.894 0 0 0 35.03684 213.43796 0 0 0 35.04564 219.98552 0 0 0 35.05444 215.88069 0 0 0 35.06324 204.8644 0 0 0 35.07205 199.62828 0 0 0 35.08085 206.79128 0 0 0 35.08965 212.50249 0 0 0 35.09845 217.84738 0 0 0 35.10725 223.26309 0 0 0 35.11606 223.07292 0 0 0 35.12486 215.32768 0 0 0 35.13366 210.27373 0 0 0 35.14246 203.46011 0 0 0 35.15126 199.95093 0 0 0 35.16007 199.86998 0 0 0 35.16887 204.32138 0 0 0 35.17767 206.76428 0 0 0 35.18647 208.16251 0 0 0 35.19528 218.60655 0 0 0 35.20408 231.7739 0 0 0 loop_ _gsas_i100_meas 4.71 15.79 8.11 6.58 8.69 1.67 17.68 17.69 2.69 100.00 15.73 0.88 14.16 0.96 33.77 15.76 9.24 0.04 25.59 14.13 2.02 1.52 1.76 1.52 3.09 60.05 0.21 11.05 26.73 1.49 -0.66 0.35 0.42 3.99 3.60 -0.00 0.00 9.10 10.42 0.54 10.36 1.77 0.00 0.31 0.07 0.91 2.68 0.56 29.26 6.12 1.90 1.66 2.83 0.06 1.04 3.36 0.56 1.09 4.94 7.37 0.00 9.67 20.71 0.34 6.79 0.91 3.07 0.27 2.52 0.46 0.06 1.61 1.54 3.48 0.18 1.78 2.88 2.39 0.38 1.14 3.42 1.53 0.00 2.73 2.23 0.10 0.00 3.23 0.70 25.99 1.14 0.24 0.92 0.22 0.07 0.92 0.99 0.18 0.16 2.26 6.03 5.59 2.03 0.21 0.00 1.57 0.22 0.44 0.73 2.80 3.16 6.18 14.40 9.16 1.32 0.01 0.84 2.26 0.15 1.64 0.01 0.56 0.28 0.17 0.97 1.21 8.00 6.29 2.24 0.20 8.00 0.19 0.01 -0.01 2.17 0.03 3.21 1.15 0.00 0.12 0.20 1.74 0.13 -0.58 0.97 2.11 8.21 5.22 0.00 0.55 0.01 10.97 1.43 1.66 0.86 0.24 -0.00 1.23 0.53 0.51 0.14 6.22 0.29 2.07 0.06 0.01 3.40 0.59 1.90 0.02 0.78 0.06 1.49 0.33 0.80 2.22 0.01 3.48 0.00 0.00 0.97 0.20 0.93 0.81 0.08 0.09 0.44 0.41 0.22