#------------------------------------------------------------------------------
#$Date: 2025-07-01 14:28:28 +0300 (Tue, 01 Jul 2025) $
#$Revision: 1260 $
#$URL: svn://crystallography.net/testcod/cif/4/00/00/4000041.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_4000041
loop_
_publ_author_name
'Zhou, Yongkai'
'Adams, Stefan'
'Rao, R. Prasada'
'Edwards, Doreen D.'
'Neiman, Arkady'
'Pestereva, N.'
_publ_section_title
;
 Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3
;
_journal_issue                   20
_journal_name_full               'Chemistry of Materials'
_journal_page_first              6335
_journal_page_last               6345
_journal_paper_doi               10.1021/cm800466y
_journal_volume                  20
_journal_year                    2008
_chemical_formula_moiety         ' Sc2(WO4)3 '
_chemical_formula_sum            'O12 Sc2 W3'
_chemical_formula_weight         833.45
_chemical_melting_point          ' 1913K '
_chemical_name_common            ' Scandium Tungstate '
_chemical_name_systematic        ' Scandium Tungstate '
_space_group_IT_number           60
_space_group_name_Hall           '-P 2a 2n'
_space_group_name_H-M_alt        'P n c a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P n c a'
_audit_creation_date             2008-01-25T12:03
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2008-01-25T12:03  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   9.68300(11)
_cell_length_b                   13.31784(15)
_cell_length_c                   9.59151(11)
_cell_measurement_temperature    11
_cell_volume                     1236.89(2)
_computing_structure_refinement  GSAS
_diffrn_radiation_polarisn_ratio 0.68
_diffrn_radiation_probe          x-ray
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_pd_block_id
2008-01-25T12:03|T11K|Zhou_Yongkai|Philips_Xpert
_pd_calc_method                  'Rietveld Refinement'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.017
_pd_meas_2theta_range_max        119.9874
_pd_meas_2theta_range_min        10.0144
_pd_meas_number_of_points        6470
_pd_proc_2theta_range_inc        0.017
_pd_proc_2theta_range_max        119.9874
_pd_proc_2theta_range_min        10.0144
_pd_proc_info_datetime           2008-01-25T12:03:55
_pd_proc_info_excluded_regions   ' ?'
_pd_proc_ls_background_function
;   GSAS Background function number 1 with 12 terms.
 Shifted Chebyshev function of 1st kind
      1:    273.270     2:   -57.0605     3:    37.8397     4:    10.6081    
      5:    9.12639     6:   -4.95872     7:    4.42746     8:   -5.09027    
      9:    10.9460    10:   -18.0085    11:    16.4978    12:   -9.06643    
;
_pd_proc_ls_peak_cutoff          0.00250
_pd_proc_ls_pref_orient_corr
;   March-Dollase
 AXIS  1 Ratio=   0.98042  h= 0.000  k= 1.000  l= 0.000
 Prefered orientation correction range: Min=   0.97077, Max=   1.06114
;
_pd_proc_ls_profile_function
;
 CW Profile function number 3 with  19 terms
 Pseudovoigt profile coefficients as parameterized in
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994).
 J. Appl. Cryst.,27,892-900.
 #1(GU)   =   85.426 #2(GV)   =  -26.120 #3(GW)   =    5.572
 #4(GP)   =    0.000 #5(LX)   =    1.100 #6(LY)   =    9.933
 #7(S/L)  =   0.0283 #8(H/L)  =   0.0250
 #9(trns) =     0.00 #10(shft)=   8.6857
 #11(stec)=     0.00 #12(ptec)=     0.00 #13(sfec)=     0.00
 #14(L11) =    0.000 #15(L22) =    0.000 #16(L33) =    0.000
 #17(L12) =    0.000 #18(L13) =    0.000 #19(L23) =    0.000
 Peak tails are ignored  where the intensity is below 0.0025 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_prof_R_factor        0.0495
_pd_proc_ls_prof_wR_expected     0.0371
_pd_proc_ls_prof_wR_factor       0.0684
_pd_proc_number_of_points        6470
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   1.85
_refine_ls_matrix_type           full
_refine_ls_number_parameters     51
_refine_ls_number_restraints     0
_refine_ls_R_Fsqd_factor         0.03318
_refine_ls_shift/su_max          0.03
_refine_ls_shift/su_mean         0.01
_reflns_d_resolution_high        0.890
_reflns_d_resolution_low         6.659
_reflns_limit_h_max              10
_reflns_limit_h_min              0
_reflns_limit_k_max              15
_reflns_limit_k_min              0
_reflns_limit_l_max              10
_reflns_limit_l_min              0
_reflns_number_total             1847
_cod_data_source_file            cm800466y_si_001.cif
_cod_data_source_block           T11K_publ
_cod_original_cell_volume        1236.889(31)
_cod_database_code               4000041
_gsas_exptl_extinct_corr_t_min   1.00000
_gsas_exptl_extinct_corr_t_max   1.00000
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x+1/2,+y+1/2,+z+1/2
3 +x,-y+1/2,+z+1/2
4 -x+1/2,-y,+z
-1 -x,-y,-z
-2 +x+1/2,-y+1/2,-z+1/2
-3 -x,+y+1/2,-z+1/2
-4 +x+1/2,+y,-z
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
Sc Sc1 0.46751(34) 0.37951(25) 0.2504(4) 1.0 Uiso 0.0099(11) 8
W W1 0.25 0.0 0.47376(14) 1.0 Uiso 0.00915(26) 4
W W2 0.11800(10) 0.35550(8) 0.39566(11) 1.0 Uiso 0.00915(26) 8
O O1 0.0997(11) 0.1406(9) 0.0783(11) 1.0 Uiso 0.0154(16) 8
O O2 0.1303(13) 0.0620(7) 0.3630(11) 1.0 Uiso 0.0154(16) 8
O O3 0.0070(12) 0.2633(9) 0.3166(10) 1.0 Uiso 0.0154(16) 8
O O4 0.3350(11) 0.4032(7) 0.0770(11) 1.0 Uiso 0.0154(16) 8
O O5 0.0693(10) 0.4734(8) 0.3204(11) 1.0 Uiso 0.0154(16) 8
O O6 0.2983(12) 0.3318(8) 0.3583(11) 1.0 Uiso 0.0154(16) 8
loop_
_atom_type_symbol
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_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_source
Sc 8.0 0.000 0.000 9.18900 9.02130 7.36790 0.57290 1.64090 136.108 1.46800
51.3531 1.33290 International_Tables_Vol_C
W 12.0 0.000 0.000 29.0818 1.72029 15.4300 9.22590 14.4327 0.32170 5.11982
57.0560 9.88750 International_Tables_Vol_C
O 48.0 0.000 0.000 3.04850 13.2771 2.28680 5.70110 1.54630 0.32390 0.86700
32.9089 0.25080 International_Tables_Vol_C
loop_
_diffrn_radiation_wavelength
_diffrn_radiation_wavelength_wt
_diffrn_radiation_type
_diffrn_radiation_wavelength_id
1.540500 1.000 K\a~1~ 1
1.544300 0.500 K\a~2~ 2
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
O1 Sc1 O2 89.7(4) -2_666 . -2_666 N
O1 Sc1 O3 90.7(4) -2_666 . -2_666 N
O1 Sc1 O4 178.8(5) -2_666 . 1_555 N
O1 Sc1 O5 88.4(4) -2_666 . 4_565 N
O1 Sc1 O6 93.0(5) -2_666 . 1_555 N
O2 Sc1 O3 92.4(5) -2_666 . -2_666 N
O2 Sc1 O4 89.6(5) -2_666 . 1_555 N
O2 Sc1 O5 86.9(4) -2_666 . 4_565 N
O2 Sc1 O6 175.5(5) -2_666 . 1_555 N
O3 Sc1 O4 90.3(4) -2_666 . 1_555 N
O3 Sc1 O5 178.9(5) -2_666 . 4_565 N
O3 Sc1 O6 91.1(4) -2_666 . 1_555 N
O4 Sc1 O5 90.5(4) 1_555 . 4_565 N
O4 Sc1 O6 87.6(4) 1_555 . 1_555 N
O5 Sc1 O6 89.6(4) 4_565 . 1_555 N
O2 W1 O2 106.5(7) 1_555 . 4_555 N
O2 W1 O4 111.1(5) 1_555 . 2_545 N
O2 W1 O4 106.9(5) 1_555 . 3_555 N
O2 W1 O4 106.9(5) 4_555 . 2_545 N
O2 W1 O4 111.1(5) 4_555 . 3_555 N
O4 W1 O4 114.2(6) 2_545 . 3_555 N
O1 W2 O3 112.3(5) 3_555 . 1_555 N
O1 W2 O5 110.4(5) 3_555 . 1_555 N
O1 W2 O6 107.4(4) 3_555 . 1_555 N
O3 W2 O5 105.7(5) 1_555 . 1_555 N
O3 W2 O6 111.9(5) 1_555 . 1_555 N
O5 W2 O6 109.1(4) 1_555 . 1_555 N
Sc1 O1 W2 147.5(6) -2_466 . 3_554 N
Sc1 O2 W1 170.9(7) -2_555 . 1_555 N
Sc1 O3 W2 151.6(7) -2_466 . 1_555 N
Sc1 O4 W1 143.5(6) 1_555 . 2_554 N
Sc1 O5 W2 172.1(6) 4_565 . 1_555 N
Sc1 O6 W2 145.1(6) 1_555 . 1_555 N
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
Sc1 O1 2.100(11) . -2_555 N
Sc1 O2 2.068(12) . -2_555 N
Sc1 O3 2.044(12) . -2_555 N
Sc1 O4 2.124(10) . 1_555 N
Sc1 O5 2.101(11) . 4_565 N
Sc1 O6 2.040(11) . 1_555 N
W1 O2 1.776(12) . 1_555 N
W1 O2 1.776(12) . 4_555 N
W1 O4 1.822(10) . 2_545 N
W1 O4 1.822(10) . 3_555 N
W2 O1 1.762(11) . 3_555 N
W2 O3 1.799(11) . 1_555 N
W2 O5 1.792(11) . 1_555 N
W2 O6 1.810(11) . 1_555 N
O1 Sc1 2.100(11) . -2_455 N
O1 W2 1.762(11) . 3_554 N
O2 Sc1 2.068(12) . -2_455 N
O2 W1 1.776(12) . 1_555 N
O3 Sc1 2.044(12) . -2_455 N
O3 W2 1.799(11) . 1_555 N
O4 Sc1 2.124(10) . 1_555 N
O4 W1 1.822(10) . 2_554 N
O5 Sc1 2.101(11) . 4_565 N
O5 W2 1.792(11) . 1_555 N
O6 Sc1 2.040(11) . 1_555 N
O6 W2 1.810(11) . 1_555 N
loop_
_pd_meas_counts_total
_pd_proc_ls_weight
_pd_proc_intensity_bkg_calc
_pd_calc_intensity_total
671.0 0.0 866.60919 .
631.0 0.0 861.67529 .
643.0 0.0 856.77356 .
665.0 0.0 851.90417 .
620.0 0.0 847.06567 .
631.0 0.0 842.25940 .
650.0 0.0 837.48395 .
649.0 0.0 832.74017 .
619.0 0.0 828.02771 .
655.0 0.0 823.34564 .
576.0 0.0 818.69482 .
584.0 0.0 814.07465 .
604.0 0.0 809.48480 .
620.0 0.0 804.92554 .
631.0 0.0 800.39636 .
626.0 0.0 795.89734 .
607.0 0.0 791.42798 .
594.0 0.0 786.98822 .
575.0 0.0 782.57898 .
607.0 0.0 778.19873 .
611.0 0.0 773.84790 .
591.0 0.0 769.52625 .
590.0 0.0 765.23334 .
580.0 0.0 760.96960 .
580.0 0.0 756.73499 .
586.0 0.0 752.52875 .
584.0 0.0 748.35120 .
583.0 0.0 744.20160 .
576.0 0.0 740.08044 .
574.0 0.0 735.98730 .
595.0 0.0 731.92242 .
591.0 0.0 727.88507 .
576.0 0.0 723.87518 .
576.0 0.0 719.89325 .
569.0 0.0 715.93860 .
565.0 0.0 712.01099 .
585.0 0.0 708.11078 .
572.0 0.0 704.23724 .
581.0 0.0 700.39075 .
558.0 0.0 696.57123 .
517.0 0.0 692.77783 .
523.0 0.0 689.01123 .
540.0 0.0 685.27069 .
528.0 0.0 681.55652 .
526.0 0.0 677.86859 .
559.0 0.0 674.20636 .
544.0 0.0 670.56970 .
534.0 0.0 666.95874 .
550.0 0.0 663.37354 .
540.0 0.0 659.81396 .
539.0 0.0 656.27954 .
530.0 0.0 652.76996 .
542.0 0.0 649.28522 .
528.0 0.0 645.82587 .
536.0 0.0 642.39124 .
555.0 0.0 638.98126 .
509.0 0.0 635.59546 .
530.0 0.0 632.23407 .
534.0 0.0 628.89728 .
537.0 0.0 625.58472 .
535.0 0.0 622.29608 .
493.0 0.0 619.03107 .
514.0 0.0 615.78973 .
510.0 0.0 612.57245 .
484.0 0.0 609.37866 .
520.0 0.0 606.20831 .
519.0 0.0 603.06091 .
499.0 0.0 599.93677 .
547.0 0.0 596.83575 .
513.0 0.0 593.75781 .
496.0 0.0 590.70264 .
507.0 0.0 587.66998 .
501.0 0.0 584.65985 .
472.0 0.0 581.67224 .
499.0 0.0 578.70728 .
530.0 0.0 575.76422 .
500.0 0.0 572.84326 .
490.0 0.0 569.94427 .
468.0 0.0 567.06726 .
474.0 0.0 564.21198 .
493.0 0.0 561.37848 .
471.0 0.0 558.56610 .
480.0 0.0 555.77539 .
456.0 0.0 553.00592 .
472.0 0.0 550.25781 .
457.0 0.0 547.53076 .
443.0 0.0 544.82434 .
443.0 0.0 542.13904 .
440.0 0.0 539.47430 .
465.0 0.0 536.83044 .
470.0 0.0 534.20709 .
462.0 0.0 531.60388 .
481.0 0.0 529.02112 .
467.0 0.0 526.45862 .
439.0 0.0 523.91620 .
457.0 0.0 521.39374 .
455.0 0.0 518.89099 .
471.0 0.0 516.40814 .
448.0 0.0 513.94482 .
429.0 0.0 511.50125 .
432.0 0.0 509.07706 .
468.0 0.0 506.67209 .
418.0 0.0 504.28635 .
466.0 0.0 501.91992 .
456.0 0.0 499.57233 .
402.0 0.0 497.24380 .
433.0 0.0 494.93384 .
425.0 0.0 492.64279 .
438.0 0.0 490.37045 .
461.0 0.0 488.11639 .
450.0 0.0 485.88083 .
474.0 0.0 483.66351 .
472.0 0.0 481.46448 .
456.0 0.0 479.28348 .
454.0 0.0 477.12067 .
439.0 0.0 474.97562 .
415.0 0.0 472.84830 .
436.0 0.0 470.73865 .
438.0 0.0 468.64676 .
437.0 0.0 466.57239 .
452.0 0.0 464.51547 .
396.0 0.0 462.47565 .
429.0 0.0 460.45303 .
451.0 0.0 458.44775 .
439.0 0.0 456.45932 .
446.0 0.0 454.48801 .
407.0 0.0 452.53336 .
401.0 0.0 450.59525 .
442.0 0.0 448.67410 .
420.0 0.0 446.76941 .
426.0 0.0 444.88135 .
443.0 0.0 443.00940 .
411.0 0.0 441.15366 .
461.0 0.0 439.31421 .
468.0 0.0 437.49100 .
449.0 0.002227 435.68369 435.67981
428.0 0.002336 433.89218 433.88831
414.0 0.002415 432.11639 432.11234
405.0 0.002469 430.35654 430.35251
395.0 0.002532 428.61227 428.60818
424.0 0.002358 426.88348 426.87930
439.0 0.002278 425.17010 425.16589
410.0 0.002439 423.47198 423.46771
403.0 0.002481 421.78943 421.78503
433.0 0.002309 420.12198 420.11752
441.0 0.002268 418.46951 420.59814
449.0 0.002227 416.83200 419.08084
442.0 0.002262 415.20944 418.65457
395.0 0.002532 413.60175 417.25006
394.0 0.002538 412.00882 415.87958
392.0 0.002551 410.43054 414.54523
405.0 0.002469 408.86673 413.25015
405.0 0.002469 407.31738 411.99789
412.0 0.002427 405.78268 410.79282
423.0 0.002364 404.26221 409.64001
429.0 0.002331 402.75586 408.54584
422.0 0.002370 401.26367 407.51840
431.0 0.002320 399.78549 406.56754
418.0 0.002392 398.32135 405.70663
410.0 0.002439 396.87122 404.95251
415.0 0.002410 395.43469 404.32788
469.0 0.002132 394.01205 403.86502
430.0 0.002326 392.60287 403.61151
443.0 0.002257 391.20749 403.65317
450.0 0.002222 389.82556 404.19598
418.0 0.002392 388.45697 405.77554
428.0 0.002336 387.10165 409.51016
466.0 0.002146 385.75949 416.95972
465.0 0.002151 384.43073 429.25455
475.0 0.002105 383.11487 446.64630
461.0 0.002169 381.81213 468.62772
458.0 0.002183 380.52219 494.53293
530.0 0.001887 379.24512 523.94800
516.0 0.001938 377.98090 556.91956
507.0 0.001972 376.72934 593.85852
570.0 0.001754 375.49045 635.42499
617.0 0.001621 374.26392 682.52753
653.0 0.001531 373.04980 736.39038
700.0 0.001429 371.84830 798.69800
757.0 0.001321 370.65900 871.83936
819.0 0.001221 369.48199 959.32416
917.0 0.001091 368.31699 1066.68079
1105.0 0.000905 367.16406 1203.57971
1276.0 0.000784 366.02319 1388.69849
1489.0 0.000672 364.89429 1653.03491
1849.0 0.000541 363.77728 2011.26868
2189.0 0.000457 362.67191 2369.32788
2364.0 0.000423 361.57825 2466.39917
2143.0 0.000467 360.49628 2133.68896
1766.0 0.000566 359.42593 1600.33789
1342.0 0.000745 358.36700 1076.11841
961.0 0.001041 357.31937 715.00146
699.0 0.001431 356.28320 533.90027
526.0 0.001901 355.25830 458.85263
432.0 0.002315 354.24457 426.55054
400.0 0.002500 353.24200 408.61932
377.0 0.002653 352.25040 396.44742
373.0 0.002681 351.26981 387.45215
370.0 0.002703 350.30011 380.50729
356.0 0.002809 349.34131 374.96619
354.0 0.002825 348.39334 370.42227
352.0 0.002841 347.45590 366.60803
372.0 0.002688 346.52911 363.34198
386.0 0.002591 345.61298 360.49670
376.0 0.002660 344.70737 357.98053
373.0 0.002681 343.81216 355.72614
372.0 0.002688 342.92725 353.68304
373.0 0.002681 342.05264 351.81323
374.0 0.002674 341.18826 350.08719
364.0 0.002747 340.33411 348.48190
351.0 0.002849 339.48999 346.97882
364.0 0.002747 338.65591 345.56320
353.0 0.002833 337.83176 344.22345
336.0 0.002976 337.01752 342.94958
349.0 0.002865 336.21310 341.73395
375.0 0.002667 335.41849 340.56967
351.0 0.002849 334.63361 339.45120
327.0 0.003058 333.85822 338.37393
337.0 0.002967 333.09244 334.61444
320.0 0.003125 332.33621 333.76492
301.0 0.003322 331.58948 331.58331
327.0 0.003058 330.85199 335.28641
346.0 0.002890 330.12390 334.79846
333.0 0.003003 329.40494 334.34003
344.0 0.002907 328.69537 336.22781
358.0 0.002793 327.99484 335.96436
345.0 0.002899 327.30328 335.75012
326.0 0.003067 326.62079 335.59009
334.0 0.002994 325.94727 335.49048
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320.0 0.003125 293.84863 359.95905
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2502.0 0.000400 290.93695 2437.32153
3288.0 0.0003041 290.80872 3156.41235
4286.0 0.0002333 290.68079 4090.22095
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3407.0 0.0002935 289.92087 3476.53223
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2291.0 0.000436 288.80597 2324.37085
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1451.0 0.000689 287.95981 1539.11877
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635.0 0.001575 287.36682 667.42151
532.0 0.001880 287.24936 588.74207
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452.0 0.002212 287.01569 454.14319
381.0 0.002625 286.89935 414.01968
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341.0 0.002933 286.66794 377.64725
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483.0 0.002070 285.53427 432.62857
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496.0 0.002016 285.20190 465.63089
477.0 0.002096 285.09192 445.47192
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448.0 0.002232 284.65588 400.61063
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438.0 0.002283 284.33298 379.05408
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551.0 0.001815 284.11978 419.84534
582.0 0.001718 284.01382 469.55048
657.0 0.001522 283.90820 553.49011
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1768.0 0.000566 283.18027 1703.50024
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984.0 0.001016 282.67255 978.12115
754.0 0.001326 282.57230 782.04529
585.0 0.001709 282.47232 610.47717
478.0 0.002092 282.37283 494.73526
404.0 0.002475 282.27374 428.76733
372.0 0.002688 282.17508 395.50735
344.0 0.002907 282.07678 377.66058
355.0 0.002817 281.97891 367.64203
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386.0 0.002591 281.78439 358.60043
349.0 0.002865 281.68777 357.56720
351.0 0.002849 281.59155 358.43680
359.0 0.002786 281.49579 361.20297
329.0 0.003040 281.40033 366.09567
388.0 0.002577 281.30542 373.73685
417.0 0.002398 281.21082 385.49408
424.0 0.002358 281.11667 404.06912
475.0 0.002105 281.02289 433.78616
526.0 0.001901 280.92957 481.91547
616.0 0.001623 280.83670 556.79181
726.0 0.001377 280.74417 667.43866
910.0 0.001099 280.65204 828.43475
1109.0 0.000902 280.56046 1049.46924
1338.0 0.000747 280.46915 1311.53760
1607.0 0.000622 280.37833 1572.33740
1793.0 0.000558 280.28790 1749.58484
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1933.0 0.000517 280.10828 1847.88159
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2137.0 0.000468 279.93036 2053.56274
2264.0 0.000442 279.84210 2074.93970
2206.0 0.000453 279.75412 1999.08179
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2258.0 0.000443 279.49286 2048.93262
2123.0 0.000471 279.40665 1998.92639
1873.0 0.000534 279.32077 1806.23401
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1864.0 0.000536 278.81454 1752.82458
1561.0 0.000641 278.73163 1541.40808
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841.0 0.001189 278.32339 844.38141
677.0 0.001477 278.24301 691.84149
517.0 0.001934 278.16302 558.30695
415.0 0.002410 278.08340 466.03229
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321.0 0.003115 277.53827 332.02155
319.0 0.003135 277.46201 328.19296
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449.0 0.002227 276.36917 351.55316
487.0 0.002053 276.29968 380.10309
585.0 0.001709 276.23059 423.95514
625.0 0.001600 276.16190 494.91028
702.0 0.001425 276.09363 597.46320
814.0 0.001229 276.02579 737.15088
936.0 0.001068 275.95834 899.19238
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1103.0 0.000907 275.75861 1056.01196
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857.0 0.001167 275.62759 837.44623
783.0 0.001277 275.56259 785.44482
741.0 0.001350 275.49811 748.49963
710.0 0.001408 275.43405 679.15991
631.0 0.001585 275.37027 574.32178
539.0 0.001855 275.30707 474.32953
426.0 0.002347 275.24420 409.61926
380.0 0.002632 275.18179 365.62640
324.0 0.003086 275.11981 341.63181
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305.0 0.003279 274.29504 323.47745
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301.0 0.003322 274.18375 331.51410
333.0 0.003003 274.12875 337.49826
348.0 0.002874 274.07419 344.47479
333.0 0.003003 274.01999 353.66226
364.0 0.002747 273.96622 366.76483
372.0 0.002688 273.91281 385.85135
437.0 0.002288 273.85989 415.24274
504.0 0.001984 273.80731 460.94574
535.0 0.001869 273.75522 529.72711
637.0 0.001570 273.70349 626.19098
793.0 0.001261 273.65216 756.10620
919.0 0.001088 273.60123 907.29578
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1127.0 0.000887 273.50058 1135.05579
1096.0 0.000912 273.45093 1127.63892
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1467.0 0.000682 273.25613 1343.28821
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2215.0 0.000451 273.16116 2040.99475
2781.0 0.000360 273.11432 2639.81885
3657.0 0.0002734 273.06778 3400.91211
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3698.0 0.0002704 272.88596 3892.64282
3193.0 0.0003132 272.84149 3322.73022
2900.0 0.0003448 272.79749 2995.05786
2738.0 0.000365 272.75378 2822.81836
2456.0 0.000407 272.71054 2559.68164
1942.0 0.000515 272.66763 2082.55225
1399.0 0.000715 272.62512 1538.92432
1038.0 0.000963 272.58307 1099.34998
772.0 0.001295 272.54144 810.92212
643.0 0.001555 272.50012 647.63037
540.0 0.001852 272.45926 564.46826
536.0 0.001866 272.41876 526.77374
515.0 0.001942 272.37866 516.98676
536.0 0.001866 272.33893 528.92963
602.0 0.001661 272.29965 561.82397
663.0 0.001508 272.26074 612.67853
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742.0 0.001348 272.18411 726.94067
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817.0 0.001224 271.85846 826.92023
754.0 0.001326 271.82419 731.06671
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578.0 0.001730 271.72382 579.97736
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446.0 0.002242 271.65881 448.32568
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396.0 0.002525 270.67343 406.20850
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462.0 0.002165 270.59119 473.23380
432.0 0.002315 270.57581 444.00400
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400.0 . . .
