#------------------------------------------------------------------------------ #$Date: 2025-07-01 13:39:59 +0300 (Tue, 01 Jul 2025) $ #$Revision: 1111 $ #$URL: svn://localhost/testcod/cif/7/20/00/7200007.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_7200007 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 2020-10-21T11:22 _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 94.581(8) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 4.9826(8) _cell_length_b 12.26098(24) _cell_length_c 4.3436(5) _cell_measurement_temperature 293 _cell_volume 264.51(5) _computing_data_reduction Fit2D _computing_structure_refinement 'GSAS-II (Toby & Von Dreele, J. Appl. Cryst. 46, 544-549, 2013)' _diffrn_ambient_pressure 5.93e6(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 4.9679 _exptl_crystal_description 'white powder' _pd_block_id 2020-10-21T11:22|clau1_010rietveld||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 2020-10-21T11:22 _pd_proc_ls_background_function ; Background function: "chebyschev" function with 15 terms: 715.9(23), 362(10), 1.3(5)e2, -3.4(8)e2, 1.17(23)e3, 2.54(17)e3, -1.671(31)e4, -9.39(4)e3, 5.893(14)e4, 1.588(15)e4, -9.366(27)e4, -1.258(12)e4, 7.066(31)e4, 3.81(16)e3, -2.06(3)e4, ; _pd_proc_ls_pref_orient_corr ; Simple spherical harmonic correction Order = 6 Coefficients: 0:0:C(6,6) = 0.02(3); 0:0:C(4,4) = 0.78(4); 0:0:C(6,-2) = 0.12(4); 0:0:C(2,-2) = 0.351(22); 0:0:C(4,-4) = 0.220(31); 0:0:C(2,2) = 0.696(23); 0:0:C(4,0) = 0.405(31); 0:0:C(6,-6) = -0.41(4); 0:0:C(6,4) = 0.36(4); 0:0:C(4,2) = -0.089(29); 0:0:C(6,2) = 0.11(3); 0:0:C(6,-4) = 0.01(3); 0:0:C(6,0) = 0.14(4); 0:0:C(2,0) = 0.984(25); 0:0:C(4,-2) = -0.132(27); ; _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 4.3(8)e2, -89(15), 5.8(7), 0.58(15), 33(4), 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 0.02270 _pd_proc_ls_prof_wR_expected 0.03457 _pd_proc_ls_prof_wR_factor 0.03979 _refine_ls_goodness_of_fit_all 1.174 _refine_ls_matrix_type full _refine_ls_number_parameters 57 _refine_ls_R_Fsqd_factor 0.27540 _refine_ls_shift/su_max 0.0013 _refine_ls_wR_factor_obs 0.04000 _reflns_d_resolution_high 1.148 _reflns_d_resolution_low 6.130 _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 182 _cod_data_source_file d0ce01401j3.cif _cod_data_source_block clau1_010rietveld _cod_original_cell_volume 264.515(21) _cod_database_code 7200007 _cell_measurement_oressure 5.93e6(5) _refine_ls_r_f_factor 0.11724 _gsas_proc_ls_prof_r_b_factor 0.05436 _gsas_proc_ls_prof_wr_b_factor 0.08590 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 0.2638(16) 0.09274(29) 0.0516(10) 1.000 Uiso 0.0044(14) 4 As2 As 0.3362(12) 0.3536(3) 0.0198(11) 1.000 Uiso 0.0044 4 O3 O 0.433(5) 0.2180(8) 0.128(7) 1.000 Uiso 0.0044 4 O4 O 0.641(4) 0.4155(18) 0.1596(30) 1.000 Uiso 0.0044 4 O5 O -0.054(4) 0.1268(25) 0.154(4) 1.000 Uiso 0.0044 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 110.6(13) 1_555 1_555 4_454 yes O3 As1 O5 100.1(13) 1_555 1_555 1_555 yes O4 As1 O5 90.5(9) 4_454 1_555 1_555 yes O3 As2 O4 95.9(10) 1_555 1_555 1_555 yes O3 As2 O5 105.7(17) 1_555 1_555 4_554 yes O4 As2 O5 86.0(8) 1_555 1_555 4_554 yes As1 O3 As2 130.2(10) 1_555 1_555 1_555 yes As1 O4 As2 122.0(10) 4_555 1_555 1_555 yes As1 O5 As2 129.0(12) 1_555 1_555 4_455 yes loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag As1 O3 1.771(11) 1_555 1_555 yes As1 O4 1.765(10) 1_555 4_454 yes As1 O5 1.730(11) 1_555 1_555 yes As2 O3 1.783(10) 1_555 1_555 yes As2 O4 1.763(11) 1_555 1_555 yes As2 O5 1.738(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 110.75584 0 0 0 0.01320 110.32315 0 0 0 0.02201 109.88393 0 0 0 0.03081 107.51666 0 0 0 0.03961 105.81811 0 0 0 0.04841 106.01559 0 0 0 0.05721 107.47549 0 0 0 0.06602 109.3335 0 0 0 0.07482 109.3471 0 0 0 0.08362 109.30418 0 0 0 0.09242 108.0928 0 0 0 0.10122 107.31122 0 0 0 0.11003 106.80559 0 0 0 0.11883 105.72868 0 0 0 0.12763 105.26582 0 0 0 0.13643 105.11524 0 0 0 0.14523 104.19435 0 0 0 0.15404 104.95631 0 0 0 0.16284 104.98563 0 0 0 0.17164 107.91893 0 0 0 0.18044 107.08419 0 0 0 0.18925 105.63608 0 0 0 0.19805 102.87541 0 0 0 0.20685 104.13964 0 0 0 0.21565 106.59881 0 0 0 0.22445 106.19571 0 0 0 0.23326 104.01379 0 0 0 0.24206 102.70795 0 0 0 0.25086 104.79604 0 0 0 0.25966 107.04382 0 0 0 0.26846 108.61835 0 0 0 0.27727 108.32475 0 0 0 0.28607 107.32107 0 0 0 0.29487 107.31123 0 0 0 0.30367 107.41403 0 0 0 0.31248 107.12898 0 0 0 0.32128 107.74784 0 0 0 0.33008 108.92906 0 0 0 0.33888 109.91171 0 0 0 0.34768 110.05775 0 0 0 0.35649 110.14246 0 0 0 0.36529 110.49467 0 0 0 0.37409 112.42619 0 0 0 0.38289 112.32404 0 0 0 0.39169 111.65748 0 0 0 0.40050 112.0725 0 0 0 0.40930 112.6371 0 0 0 0.41810 112.34454 0 0 0 0.42690 111.35736 0 0 0 0.43570 110.02982 0 0 0 0.44451 108.79756 0 0 0 0.45331 108.99625 0 0 0 0.46211 109.66488 0 0 0 0.47091 109.52814 0 0 0 0.47972 109.56171 0 0 0 0.48852 108.81589 0 0 0 0.49732 108.6708 0 0 0 0.50612 108.55972 0 0 0 0.51492 109.45374 0 0 0 0.52373 109.04382 0 0 0 0.53253 107.86065 0 0 0 0.54133 108.25037 0 0 0 0.55013 109.18684 0 0 0 0.55893 109.37835 0 0 0 0.56774 108.21503 0 0 0 0.57654 108.813 0 0 0 0.58534 108.98121 0 0 0 0.59414 108.51373 0 0 0 0.60295 108.27293 0 0 0 0.61175 107.74726 0 0 0 0.62055 107.71539 0 0 0 0.62935 107.74386 0 0 0 0.63815 108.80279 0 0 0 0.64696 109.04639 0 0 0 0.65576 109.06817 0 0 0 0.66456 108.82885 0 0 0 0.67336 108.53963 0 0 0 0.68216 108.4696 0 0 0 0.69097 108.99617 0 0 0 0.69977 109.4323 0 0 0 0.70857 109.58044 0 0 0 0.71737 109.80797 0 0 0 0.72617 109.88168 0 0 0 0.73498 109.9529 0 0 0 0.74378 109.64891 0 0 0 0.75258 109.57871 0 0 0 0.76138 109.4927 0 0 0 0.77019 108.6642 0 0 0 0.77899 108.82017 0 0 0 0.78779 108.88211 0 0 0 0.79659 109.37405 0 0 0 0.80539 110.54654 0 0 0 0.81420 111.0512 0 0 0 0.82300 111.21957 0 0 0 0.83180 111.56834 0 0 0 0.84060 112.70991 0 0 0 0.84940 113.05238 0 0 0 0.85821 114.63634 0 0 0 0.86701 115.8379 0 0 0 0.87581 115.51273 0 0 0 0.88461 115.43925 0 0 0 0.89342 116.49252 0 0 0 0.90222 118.47474 0 0 0 0.91102 119.20838 0 0 0 0.91982 118.98859 0 0 0 0.92862 120.17892 0 0 0 0.93743 121.6433 0 0 0 0.94623 124.69553 0 0 0 0.95503 127.6048 0 0 0 0.96383 129.53479 0 0 0 0.97263 128.88806 0 0 0 0.98144 130.45572 0 0 0 0.99024 133.51543 0 0 0 0.99904 137.22398 0 0 0 1.00784 140.16061 0 0 0 1.01664 144.2392 0 0 0 1.02545 149.55133 0 0 0 1.03425 158.61876 0 0 0 1.04305 167.97261 0 0 0 1.05185 174.74931 0 0 0 1.06066 178.24411 0 0 0 1.06946 186.6673 0 0 0 1.07826 191.80449 0 0 0 1.08706 197.37927 0 0 0 1.09586 201.40523 0 0 0 1.10467 206.85716 0 0 0 1.11347 212.21915 0 0 0 1.12227 217.44592 0 0 0 1.13107 223.70911 0 0 0 1.13987 229.55862 0 0 0 1.14868 233.44565 0 0 0 1.15748 236.267 0 0 0 1.16628 238.97989 0 0 0 1.17508 241.5791 0 0 0 1.18389 244.14607 0 0 0 1.19269 246.09244 0 0 0 1.20149 247.80624 0 0 0 1.21029 249.82553 0 0 0 1.21909 253.07376 0 0 0 1.22790 254.70404 0 0 0 1.23670 257.19073 0 0 0 1.24550 258.5972 0 0 0 1.25430 261.32089 0 0 0 1.26310 263.48654 0 0 0 1.27191 265.89835 0 0 0 1.28071 267.25272 0 0 0 1.28951 268.56461 0 0 0 1.29831 269.48492 0 0 0 1.30711 270.96948 0 0 0 1.31592 273.02335 0 0 0 1.32472 275.95938 0 0 0 1.33352 278.41092 0 0 0 1.34232 279.08298 0 0 0 1.35113 279.92328 0 0 0 1.35993 282.03659 0 0 0 1.36873 283.7482 0 0 0 1.37753 283.50079 0 0 0 1.38633 283.84702 0 0 0 1.39514 285.58615 0 0 0 1.40394 288.04929 0 0 0 1.41274 290.63779 0 0 0 1.42154 292.01126 0 0 0 1.43034 291.69397 0 0 0 1.43915 292.48898 0 0 0 1.44795 294.04529 0 0 0 1.45675 295.19455 0 0 0 1.46555 296.04819 0 0 0 1.47436 297.97461 0 0 0 1.48316 299.06656 0 0 0 1.49196 299.62421 0 0 0 1.50076 300.47226 0 0 0 1.50956 301.64282 0 0 0 1.51837 302.38321 0 0 0 1.52717 302.85046 0 0 0 1.53597 303.4032 0 0 0 1.54477 304.08926 0 0 0 1.55357 305.38019 0 0 0 1.56238 307.56888 0 0 0 1.57118 309.07635 0 0 0 1.57998 310.25787 0 0 0 1.58878 310.53961 0 0 0 1.59758 310.40408 0 0 0 1.60639 309.92868 0 0 0 1.61519 310.81647 0 0 0 1.62399 312.98022 0 0 0 1.63279 315.03036 0 0 0 1.64160 315.61392 0 0 0 1.65040 315.03333 0 0 0 1.65920 316.00833 0 0 0 1.66800 316.42291 0 0 0 1.67680 317.89969 0 0 0 1.68561 318.39822 0 0 0 1.69441 319.16068 0 0 0 1.70321 319.47379 0 0 0 1.71201 321.12711 0 0 0 1.72081 321.50485 0 0 0 1.72962 321.83713 0 0 0 1.73842 321.93869 0 0 0 1.74722 323.20245 0 0 0 1.75602 324.56039 0 0 0 1.76483 326.23398 0 0 0 1.77363 326.69315 0 0 0 1.78243 326.22021 0 0 0 1.79123 326.31274 0 0 0 1.80003 327.991 0 0 0 1.80884 328.22256 0 0 0 1.81764 328.7048 0 0 0 1.82644 328.83249 0 0 0 1.83524 329.30862 0 0 0 1.84404 330.38025 0 0 0 1.85285 331.41333 0 0 0 1.86165 332.32565 0 0 0 1.87045 333.30609 0 0 0 1.87925 335.42612 0 0 0 1.88805 336.63467 0 0 0 1.89686 337.0098 0 0 0 1.90566 337.65482 0 0 0 1.91446 338.18701 0 0 0 1.92326 338.47183 0 0 0 1.93207 339.04288 0 0 0 1.94087 339.98233 0 0 0 1.94967 340.62659 0 0 0 1.95847 340.50851 0 0 0 1.96727 340.61267 0 0 0 1.97608 342.13654 0 0 0 1.98488 342.48291 0 0 0 1.99368 342.98752 0 0 0 2.00248 342.74557 0 0 0 2.01128 343.42496 0 0 0 2.02009 344.34671 0 0 0 2.02889 345.01633 0 0 0 2.03769 345.35922 0 0 0 2.04649 346.57864 0 0 0 2.05530 347.65079 0 0 0 2.06410 348.54755 0 0 0 2.07290 349.08563 0 0 0 2.08170 348.91046 0 0 0 2.09050 349.20395 0 0 0 2.09931 350.17383 0 0 0 2.10811 352.16541 0 0 0 2.11691 352.83826 0 0 0 2.12571 351.83801 0 0 0 2.13451 351.46021 0 0 0 2.14332 352.7088 0 0 0 2.15212 353.85852 0 0 0 2.16092 354.92825 0 0 0 2.16972 355.66357 0 0 0 2.17852 355.52054 0 0 0 2.18733 355.93631 0 0 0 2.19613 356.496 0 0 0 2.20493 356.88608 0 0 0 2.21373 356.8887 0 0 0 2.22254 357.5871 0 0 0 2.23134 357.64706 0 0 0 2.24014 358.03302 0 0 0 2.24894 359.17267 0 0 0 2.25774 360.11029 0 0 0 2.26655 360.51056 0 0 0 2.27535 361.27399 0 0 0 2.28415 362.05914 0 0 0 2.29295 362.13449 0 0 0 2.30175 362.01767 0 0 0 2.31056 362.53317 0 0 0 2.31936 363.77908 0 0 0 2.32816 364.87384 0 0 0 2.33696 364.45203 0 0 0 2.34576 364.63861 0 0 0 2.35457 365.14557 0 0 0 2.36337 365.06735 0 0 0 2.37217 365.40747 0 0 0 2.38097 366.44281 0 0 0 2.38978 366.41934 0 0 0 2.39858 367.2616 0 0 0 2.40738 367.61365 0 0 0 2.41618 368.10019 0 0 0 2.42498 368.91086 0 0 0 2.43379 369.16342 0 0 0 2.44259 369.89212 0 0 0 2.45139 370.40613 0 0 0 2.46019 370.991 0 0 0 2.46899 371.47464 0 0 0 2.47780 371.59756 0 0 0 2.48660 371.59445 0 0 0 2.49540 371.93173 0 0 0 2.50420 373.36069 0 0 0 2.51301 373.36581 0 0 0 2.52181 373.23825 0 0 0 2.53061 373.46002 0 0 0 2.53941 374.32434 0 0 0 2.54821 374.81125 0 0 0 2.55702 374.95822 0 0 0 2.56582 374.90073 0 0 0 2.57462 375.15601 0 0 0 2.58342 375.43356 0 0 0 2.59222 375.73462 0 0 0 2.60103 376.39999 0 0 0 2.60983 377.21326 0 0 0 2.61863 377.81 0 0 0 2.62743 378.08163 0 0 0 2.63624 378.14938 0 0 0 2.64504 378.89777 0 0 0 2.65384 378.91599 0 0 0 2.66264 379.18719 0 0 0 2.67144 380.13974 0 0 0 2.68025 381.11929 0 0 0 2.68905 381.16275 0 0 0 2.69785 380.80701 375.456759 375.438232 0.002626002 2.70665 380.71506 376.464373 376.44571 0.002626636 2.71545 380.94968 377.432709 377.413908 0.002625019 2.72426 381.94226 378.363095 378.344155 0.002618197 2.73306 382.98773 379.256931 379.237851 0.00261105 2.74186 383.83469 380.115488 380.096266 0.002605288 2.75066 383.96173 380.940037 380.920671 0.002604426 2.75946 384.17694 381.731788 381.712277 0.002602967 2.76827 384.69791 382.492002 382.472344 0.002599442 2.77707 385.07642 383.221824 383.202018 0.002596887 2.78587 385.09702 383.922392 383.902435 0.002596748 2.79467 384.60529 384.59482 384.574711 0.002600068 2.80348 384.42163 385.240208 385.219945 0.00260131 2.81228 384.78445 385.85961 385.839191 0.002598858 2.82108 385.64038 386.454045 386.433469 0.002593089 2.82988 385.88196 387.024495 387.003759 0.002591466 2.83868 385.478 387.57197 387.551073 0.002594182 2.84749 386.17105 388.097396 388.076335 0.002589526 2.85629 387.07269 388.601692 388.580466 0.002583494 2.86509 387.42563 389.085747 389.064354 0.002581141 2.87389 387.25455 389.55043 389.528867 0.002582281 2.88269 387.67789 389.996597 389.974862 0.002579461 2.89150 388.09177 390.425065 390.403157 0.00257671 2.90030 388.75363 390.836628 390.814544 0.002572323 2.90910 389.23474 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885.580558 0.001025057 16.38515 959.46918 970.997525 885.686659 0.001042243 16.39395 946.01929 960.127074 885.791696 0.001057061 16.40275 936.83362 952.66065 885.895706 0.001067425 16.41155 930.70551 948.311599 885.998688 0.001074454 16.42036 927.26324 946.940763 886.100664 0.001078442 16.42916 927.88055 948.584429 886.201625 0.001077725 16.43796 933.08807 953.358125 886.301604 0.00107171 16.44676 942.28564 961.225998 886.400568 0.001061249 16.45556 955.08325 971.52648 886.498597 0.001047029 16.46437 965.87274 982.145086 886.595658 0.001035333 16.47317 968.08856 989.101911 886.691775 0.001032963 16.48197 960.30811 988.402661 886.786971 0.001041332 16.49077 947.51776 979.573818 886.881236 0.001055389 16.49958 933.7738 966.112353 886.974605 0.001070923 16.50838 922.54871 952.149341 887.067048 0.001083954 16.51718 914.46045 940.025521 887.158641 0.001093541 16.52598 908.68066 930.452047 887.249355 0.001100497 16.53478 904.409 923.308286 887.339214 0.001105694 16.54359 901.44122 918.161505 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888.977393 0.001115613 16.71963 896.52484 905.987217 889.052415 0.001115418 16.72843 897.06238 906.917578 889.126893 0.00111475 16.73723 897.88702 908.156607 889.20081 0.001113726 16.74603 899.2478 909.826066 889.274228 0.001112041 16.75483 900.59674 912.088181 889.34713 0.001110375 16.76364 902.01343 915.140666 889.419546 0.001108631 16.77244 904.16272 919.182509 889.491475 0.001105996 16.78124 907.05316 924.358491 889.56294 0.001102471 16.79004 910.45251 930.626658 889.633946 0.001098355 16.79885 913.60992 937.507025 889.704525 0.001094559 16.80765 916.68048 943.829286 889.774692 0.001090893 16.81645 919.81171 948.212858 889.844445 0.001087179 16.82525 923.71399 950.540458 889.913814 0.001082586 16.83405 928.3418 952.314238 889.982799 0.001077189 16.84286 934.57928 955.216232 890.051423 0.00107 16.85166 943.36737 960.329049 890.119691 0.001060032 16.86046 956.07495 968.471652 890.187635 0.001045943 16.86926 971.76697 980.270539 890.255269 0.001029053 16.87806 991.48944 995.819786 890.322593 0.001008584 16.88687 1016.2055 1015.068468 890.389636 0.000984053 16.89567 1046.6128 1038.596901 890.456398 0.000955463 16.90447 1082.7937 1066.45215 890.522885 0.000923537 16.91327 1121.9033 1095.17932 890.589152 0.000891342 16.92207 1168.0239 1116.144444 890.655181 0.000856147 16.93088 1219.7361 1120.180076 890.721003 0.000819849 16.93968 1268.6671 1106.619777 890.786617 0.000788229 16.94848 1280.8212 1082.740342 890.852053 0.000780749 16.95728 1251.2699 1055.198211 890.917311 0.000799188 16.96608 1186.0383 1027.903428 890.982397 0.000843143 16.97489 1117.3177 1003.98412 891.047363 0.000895001 16.98369 1066.3669 985.604724 891.112193 0.000937764 16.99249 1037.0044 973.445521 891.176918 0.000964316 17.00129 1018.1013 967.209578 891.241536 0.000982221 17.01010 1008.6058 966.04782 891.306077 0.000991468 17.01890 1003.2546 968.622041 891.370526 0.000996756 17.02770 1002.225 972.72072 891.434932 0.00099778 17.03650 1002.5394 975.064153 891.499304 0.000997467 17.04530 999.66327 972.672562 891.56364 0.001000337 17.05411 992.64923 965.258793 891.62797 0.001007405 17.06291 982.0329 955.189471 891.692291 0.001018296 17.07171 969.0694 945.081506 891.756627 0.001031918 17.08051 957.74847 936.384926 891.820982 0.001044115 17.08931 947.94946 929.538068 891.885386 0.001054909 17.09812 939.89539 924.466097 891.949852 0.001063948 17.10692 932.77533 920.889635 892.014379 0.00107207 17.11572 927.11383 918.482553 892.078995 0.001078616 17.12452 923.11035 916.951479 892.143699 0.001083294 17.13333 920.2146 916.062517 892.208504 0.001086703 17.14213 917.64014 915.682421 892.273437 0.001089752 17.15093 916.24152 915.717001 892.338505 0.001091415 17.15973 914.83795 916.133044 892.403728 0.00109309 17.16853 914.69324 916.941166 892.469105 0.001093263 17.17734 915.40302 918.197086 892.534662 0.001092415 17.18614 917.32019 920.013861 892.600397 0.001090132 17.19494 918.86139 922.58551 892.666323 0.001088303 17.20374 921.98621 926.228598 892.732467 0.001084615 17.21254 926.15485 931.409731 892.798835 0.001079733 17.22135 931.86603 938.765202 892.865445 0.001073116 17.23015 937.94336 949.062347 892.932296 0.001066162 17.23895 946.49005 963.06621 892.999413 0.001056535 17.24775 957.48401 981.266047 893.066778 0.001044404 17.25656 972.08929 1003.482878 893.134449 0.001028712 17.26536 991.76123 1028.19771 893.202406 0.001008307 17.27416 1011.5364 1051.512626 893.270669 0.000988595 17.28296 1027.2247 1066.366494 893.339257 0.000973497 17.29177 1031.9675 1065.916298 893.408165 0.000969023 17.30057 1022.4843 1050.353466 893.477404 0.00097801 17.30937 1005.6823 1026.881234 893.547 0.00099435 17.31817 985.78949 1002.844465 893.616964 0.001014415 17.32697 969.48871 982.18669 893.687292 0.001031472 17.33578 956.43927 966.115824 893.758 0.001045545 17.34458 947.54065 954.491692 893.829107 0.001055364 17.35338 940.7149 946.610514 893.900608 0.001063021 17.36218 935.6026 941.616782 893.972511 0.00106883 17.37098 933.26477 938.751795 894.044843 0.001071507 17.37979 932.49109 937.489642 894.117613 0.001072396 17.38859 933.50366 937.539166 894.190815 0.001071233 17.39739 934.76117 938.789324 894.264464 0.001069792 17.40619 937.31403 941.296284 894.33858 0.001066878 17.41499 940.99927 945.289081 894.413136 0.0010627 17.42380 947.93292 951.208277 894.488192 0.001054927 ? 958.1001 0 0 0 ? 974.47211 0 0 0 ? 1002.3694 0 0 0 ? 1046.8364 0 0 0 ? 1112.2473 0 0 0 ? 1202.0721 0 0 0 ? 1296.8977 0 0 0 ? 1369.4233 0 0 0 ? 1424.3484 0 0 0 ? 1450.0588 0 0 0 ? 1501.4119 0 0 0 ? 1653.7495 0 0 0 ? 2327.3503 0 0 0 ? 2659.3909 0 0 0 ? 2762.2969 0 0 0 ? 2439.2864 0 0 0 ? 1850.9211 0 0 0 ? 1541.6128 0 0 0 ? 1391.0359 0 0 0 ? 1277.226 0 0 0 ? 1208.2678 0 0 0 ? 1171.4379 0 0 0 ? 1163.8785 0 0 0 ? 1171.3016 0 0 0 ? 1182.0979 0 0 0 ? 1188.9601 0 0 0 ? 1181.219 0 0 0 ? 1156.0172 0 0 0 ? 1120.6729 0 0 0 ? 1084.2622 0 0 0 ? 1050.041 0 0 0 ? 1023.2839 0 0 0 ? 1003.2909 0 0 0 ? 992.36639 0 0 0 ? 987.32916 0 0 0 ? 988.71057 0 0 0 ? 994.15765 0 0 0 ? 1005.4227 0 0 0 ? 1019.5585 0 0 0 ? 1033.9139 0 0 0 ? 1043.3033 0 0 0 ? 1043.5409 0 0 0 ? 1034.9083 0 0 0 ? 1020.9712 0 0 0 ? 1004.6038 0 0 0 ? 988.91705 0 0 0 ? 975.25763 0 0 0 ? 963.67688 0 0 0 ? 954.42841 0 0 0 ? 947.513 0 0 0 ? 941.59686 0 0 0 ? 937.26721 0 0 0 ? 934.37292 0 0 0 ? 931.99884 0 0 0 ? 929.56055 0 0 0 ? 927.9754 0 0 0 ? 927.69379 0 0 0 ? 927.34052 0 0 0 17.94312 926.78082 925.085905 899.942464 0.001079004 17.95192 926.55353 925.8587 900.053213 0.001079268 17.96073 927.81781 927.446589 900.164535 0.001077798 17.96953 929.63324 929.885015 900.2764 0.001075693 17.97833 931.0694 933.091558 900.388825 0.001074034 17.98713 933.12787 936.844475 900.501752 0.001071664 17.99593 935.46539 940.755914 900.615252 0.001068987 18.00474 938.20618 944.078029 900.729265 0.001065864 18.01354 939.8385 945.6596 900.843797 0.001064013 18.02234 940.73938 944.666215 900.958852 0.001062994 18.03114 940.80713 941.476366 901.074397 0.001062917 18.03995 939.30054 937.338071 901.190449 0.001064622 18.04875 936.98218 933.363575 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1167.7664 1191.12653 905.986644 0.000856336 18.39203 1145.6371 1161.937237 906.113039 0.000872877 18.40083 1116.8162 1125.814253 906.239422 0.000895402 18.40963 1082.9639 1090.315821 906.365776 0.000923392 18.41844 1056.9542 1060.292848 906.492057 0.000946115 18.42724 1037.7987 1037.741029 906.618263 0.000963578 18.43604 1024.0791 1023.090807 906.744391 0.000976487 18.44484 1019.0728 1016.177991 906.87037 0.000981284 18.45364 1021.8666 1016.643023 906.996268 0.000978601 18.46245 1029.9919 1024.036478 907.122012 0.000970881 18.47125 1046.8802 1037.678876 907.247615 0.000955219 18.48005 1072.6545 1056.240232 907.37303 0.000932267 18.48885 1097.118 1076.833161 907.498258 0.000911479 18.49766 1110.0563 1094.284458 907.623294 0.000900855 18.50646 1107.6703 1102.333823 907.748067 0.000902796 18.51526 1095.2645 1097.700008 907.872644 0.000913021 18.52406 1076.6611 1082.37691 907.996953 0.000928797 18.53286 1055.416 1060.922079 908.121005 0.000947494 18.54167 1034.4778 1037.487429 908.244756 0.000966671 18.55047 1015.2894 1015.127602 908.368205 0.000984941 18.55927 998.46265 995.672146 908.491319 0.00100154 18.56807 985.37213 979.756718 908.614112 0.001014845 18.57687 974.63501 967.235161 908.736567 0.001026025 18.58568 965.75378 957.643913 908.858639 0.001035461 18.59448 958.25256 950.427763 908.98034 0.001043566 18.60328 952.90283 945.050978 909.101628 0.001049425 18.61208 948.85974 941.046039 909.222499 0.001053897 18.62088 945.80341 938.04367 909.342923 0.001057302 18.62969 943.26263 935.772414 909.462914 0.00106015 18.63849 941.53192 934.042107 909.582453 0.001062099 18.64729 940.07159 932.723928 909.7015 0.001063749 18.65609 938.85205 931.732567 909.820065 0.001065131 18.66490 937.75092 931.010562 909.938106 0.001066381 18.67370 935.88959 930.521136 910.055608 0.001068502 18.68250 934.39954 930.241795 910.172583 0.001070206 18.69130 933.83228 930.162345 910.289001 0.001070856 18.70010 934.10168 930.282791 910.404863 0.001070547 18.70891 934.32935 930.614971 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