#------------------------------------------------------------------------------
#$Date: 2025-07-01 14:28:55 +0300 (Tue, 01 Jul 2025) $
#$Revision: 1263 $
#$URL: svn://crystallography.net/testcod/cif/4/00/00/4000044.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_4000044
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                   9.68301(11)
_cell_length_b                   13.31962(15)
_cell_length_c                   9.59143(11)
_cell_measurement_temperature    50
_cell_volume                     1237.05(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           2008-01-25T12:04:32
_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:    273.626     2:   -53.3938     3:    39.8750     4:    9.83486    
      5:    6.87296     6:   -2.75357     7:    3.12414     8:   -4.86390    
      9:    11.2841    10:   -17.7341    11:    15.9650    12:   -9.57244    
;
_pd_proc_ls_peak_cutoff          0.00250
_pd_proc_ls_pref_orient_corr
;   March-Dollase
 AXIS  1 Ratio=   0.98091  h= 0.000  k= 1.000  l= 0.000
 Prefered orientation correction range: Min=   0.97150, Max=   1.05953
;
_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)   =   86.260 #2(GV)   =  -30.748 #3(GW)   =    6.255
 #4(GP)   =    0.000 #5(LX)   =    0.907 #6(LY)   =   10.994
 #7(S/L)  =   0.0282 #8(H/L)  =   0.0250
 #9(trns) =     0.00 #10(shft)=   8.4375
 #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        0.0490
_pd_proc_ls_prof_wR_expected     0.0371
_pd_proc_ls_prof_wR_factor       0.0674
_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         0.03287
_refine_ls_shift/su_max          0.03
_refine_ls_shift/su_mean         0.01
_reflns_d_resolution_high        0.890
_reflns_d_resolution_low         6.660
_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_002.cif
_cod_data_source_block           T50K
_cod_original_cell_volume        1237.045(30)
_cod_database_code               4000044
_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 0.46743(34) 0.37940(24) 0.2501(4) 1.0 Uiso 0.0076(11) 8
W W1 0.25 0.0 0.47377(14) 1.0 Uiso 0.00828(25) 4
W W2 0.11788(10) 0.35549(8) 0.39576(11) 1.0 Uiso 0.00828(25) 8
O O1 0.0979(11) 0.1411(8) 0.0801(11) 1.0 Uiso 0.0146(16) 8
O O2 0.1302(13) 0.0624(7) 0.3651(11) 1.0 Uiso 0.0146(16) 8
O O3 0.0070(11) 0.2636(9) 0.3173(10) 1.0 Uiso 0.0146(16) 8
O O4 0.3351(11) 0.4021(7) 0.0779(11) 1.0 Uiso 0.0146(16) 8
O O5 0.0685(10) 0.4737(8) 0.3212(11) 1.0 Uiso 0.0146(16) 8
O O6 0.2985(11) 0.3331(8) 0.3585(10) 1.0 Uiso 0.0146(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 0.000 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 90.3(4) -2_666 . -2_666 N
O1 Sc1 O3 90.7(4) -2_666 . -2_666 N
O1 Sc1 O4 179.298(6) -2_666 . 1_555 N
O1 Sc1 O5 88.2(4) -2_666 . 4_565 N
O1 Sc1 O6 92.8(5) -2_666 . 1_555 N
O2 Sc1 O3 92.1(5) -2_666 . -2_666 N
O2 Sc1 O4 89.5(5) -2_666 . 1_555 N
O2 Sc1 O5 87.2(4) -2_666 . 4_565 N
O2 Sc1 O6 175.1(5) -2_666 . 1_555 N
O3 Sc1 O4 90.0(4) -2_666 . 1_555 N
O3 Sc1 O5 178.6(5) -2_666 . 4_565 N
O3 Sc1 O6 91.7(4) -2_666 . 1_555 N
O4 Sc1 O5 91.1(4) 1_555 . 4_565 N
O4 Sc1 O6 87.4(4) 1_555 . 1_555 N
O5 Sc1 O6 89.0(4) 4_565 . 1_555 N
O2 W1 O2 107.7(7) 1_555 . 4_555 N
O2 W1 O4 111.1(5) 1_555 . 2_545 N
O2 W1 O4 106.3(5) 1_555 . 3_555 N
O2 W1 O4 106.3(5) 4_555 . 2_545 N
O2 W1 O4 111.1(5) 4_555 . 3_555 N
O4 W1 O4 114.1(6) 2_545 . 3_555 N
O1 W2 O3 111.7(5) 3_555 . 1_555 N
O1 W2 O5 110.2(5) 3_555 . 1_555 N
O1 W2 O6 107.8(4) 3_555 . 1_555 N
O3 W2 O5 105.8(5) 1_555 . 1_555 N
O3 W2 O6 112.5(5) 1_555 . 1_555 N
O5 W2 O6 108.9(4) 1_555 . 1_555 N
Sc1 O1 W2 148.0(6) -2_466 . 3_554 N
Sc1 O2 W1 171.2(7) -2_555 . 1_555 N
Sc1 O3 W2 151.6(7) -2_466 . 1_555 N
Sc1 O4 W1 143.0(6) 1_555 . 2_554 N
Sc1 O5 W2 172.2(6) 4_565 . 1_555 N
Sc1 O6 W2 145.9(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 2.080(11) . -2_555 N
Sc1 O2 2.075(12) . -2_555 N
Sc1 O3 2.048(11) . -2_555 N
Sc1 O4 2.112(10) . 1_555 N
Sc1 O5 2.101(11) . 4_565 N
Sc1 O6 2.034(11) . 1_555 N
W1 O2 1.767(12) . 1_555 N
W1 O2 1.767(12) . 4_555 N
W1 O4 1.837(10) . 2_545 N
W1 O4 1.837(10) . 3_555 N
W2 O1 1.779(11) . 3_555 N
W2 O3 1.793(11) . 1_555 N
W2 O5 1.794(11) . 1_555 N
W2 O6 1.810(11) . 1_555 N
O1 Sc1 2.080(11) . -2_455 N
O1 W2 1.779(11) . 3_554 N
O2 Sc1 2.075(12) . -2_455 N
O2 W1 1.767(12) . 1_555 N
O3 Sc1 2.048(11) . -2_455 N
O3 W2 1.793(11) . 1_555 N
O4 Sc1 2.112(10) . 1_555 N
O4 W1 1.837(10) . 2_554 N
O5 Sc1 2.101(11) . 4_565 N
O5 W2 1.794(11) . 1_555 N
O6 Sc1 2.034(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
648.0 0.0 854.12341 .
698.0 0.0 849.23553 .
646.0 0.0 844.37976 .
620.0 0.0 839.55646 .
598.0 0.0 834.76404 .
634.0 0.0 830.00378 .
680.0 0.0 825.27454 .
674.0 0.0 820.57690 .
647.0 0.0 815.91046 .
660.0 0.0 811.27460 .
650.0 0.0 806.66992 .
649.0 0.0 802.09595 .
609.0 0.0 797.55231 .
590.0 0.0 793.03912 .
612.0 0.0 788.55621 .
625.0 0.0 784.10339 .
612.0 0.0 779.68024 .
631.0 0.0 775.28656 .
589.0 0.0 770.92358 .
574.0 0.0 766.58966 .
610.0 0.0 762.28491 .
596.0 0.0 758.00952 .
579.0 0.0 753.76282 .
578.0 0.0 749.54541 .
573.0 0.0 745.35693 .
567.0 0.0 741.19702 .
577.0 0.0 737.06555 .
588.0 0.0 732.96204 .
594.0 0.0 728.88715 .
577.0 0.0 724.84027 .
555.0 0.0 720.82141 .
555.0 0.0 716.83026 .
575.0 0.0 712.86658 .
573.0 0.0 708.93073 .
564.0 0.0 705.02234 .
573.0 0.0 701.14081 .
573.0 0.0 697.28662 .
540.0 0.0 693.45917 .
547.0 0.0 689.65881 .
580.0 0.0 685.88538 .
598.0 0.0 682.13806 .
580.0 0.0 678.41736 .
559.0 0.0 674.72290 .
555.0 0.0 671.05463 .
569.0 0.0 667.41272 .
554.0 0.0 663.79633 .
519.0 0.0 660.20569 .
539.0 0.0 656.64056 .
547.0 0.0 653.10132 .
546.0 0.0 649.58752 .
561.0 0.0 646.09900 .
536.0 0.0 642.63519 .
503.0 0.0 639.19617 .
562.0 0.0 635.78253 .
565.0 0.0 632.39374 .
551.0 0.0 629.02942 .
565.0 0.0 625.68927 .
543.0 0.0 622.37347 .
542.0 0.0 619.08234 .
508.0 0.0 615.81525 .
503.0 0.0 612.57214 .
515.0 0.0 609.35266 .
559.0 0.0 606.15674 .
505.0 0.0 602.98486 .
529.0 0.0 599.83636 .
512.0 0.0 596.71149 .
517.0 0.0 593.60931 .
478.0 0.0 590.53052 .
492.0 0.0 587.47473 .
512.0 0.0 584.44196 .
465.0 0.0 581.43188 .
483.0 0.0 578.44440 .
497.0 0.0 575.47931 .
482.0 0.0 572.53680 .
487.0 0.0 569.61676 .
484.0 0.0 566.71863 .
498.0 0.0 563.84253 .
530.0 0.0 560.98834 .
525.0 0.0 558.15613 .
485.0 0.0 555.34564 .
476.0 0.0 552.55676 .
486.0 0.0 549.78906 .
488.0 0.0 547.04297 .
466.0 0.0 544.31799 .
453.0 0.0 541.61444 .
463.0 0.0 538.93188 .
462.0 0.0 536.26984 .
497.0 0.0 533.62891 .
498.0 0.0 531.00842 .
469.0 0.0 528.40881 .
463.0 0.0 525.82971 .
472.0 0.0 523.27063 .
467.0 0.0 520.73187 .
464.0 0.0 518.21338 .
481.0 0.0 515.71497 .
475.0 0.0 513.23639 .
468.0 0.0 510.77747 .
462.0 0.0 508.33844 .
455.0 0.0 505.91888 .
476.0 0.0 503.51892 .
450.0 0.0 501.13846 .
427.0 0.0 498.77698 .
440.0 0.0 496.43481 .
463.0 0.0 494.11172 .
435.0 0.0 491.80759 .
458.0 0.0 489.52234 .
467.0 0.0 487.25571 .
450.0 0.0 485.00775 .
424.0 0.0 482.77853 .
424.0 0.0 480.56760 .
436.0 0.0 478.37500 .
442.0 0.0 476.20062 .
438.0 0.0 474.04443 .
449.0 0.0 471.90628 .
426.0 0.0 469.78607 .
433.0 0.0 467.68372 .
432.0 0.0 465.59897 .
406.0 0.0 463.53198 .
428.0 0.0 461.48245 .
453.0 0.0 459.45050 .
436.0 0.0 457.43582 .
463.0 0.0 455.43832 .
418.0 0.0 453.45779 .
397.0 0.0 451.49466 .
443.0 0.0 449.54828 .
461.0 0.0 447.61893 .
440.0 0.0 445.70618 .
414.0 0.0 443.80991 .
456.0 0.0 441.93051 .
466.0 0.0 440.06741 .
450.0 0.0 438.22101 .
433.0 0.0 436.39053 .
421.0 0.0 434.57632 .
396.0 0.0 432.77826 .
410.0 0.0 430.99625 .
440.0 0.002273 429.23013 429.22275
424.0 0.002358 427.47986 427.47247
410.0 0.002439 425.74515 425.73788
404.0 0.002475 424.02618 424.01917
405.0 0.002469 422.32291 422.31592
425.0 0.002353 420.63498 420.62808
441.0 0.002268 418.96228 418.95560
451.0 0.002217 417.30487 417.29831
409.0 0.002445 415.66284 415.65634
404.0 0.002475 414.03598 414.02954
399.0 0.002506 412.42392 414.46085
403.0 0.002481 410.82678 412.97888
417.0 0.002398 409.24445 412.54266
396.0 0.002525 407.67703 411.16968
403.0 0.002481 406.12421 409.82962
400.0 0.002500 404.58594 408.52466
428.0 0.002336 403.06213 407.25787
452.0 0.002212 401.55270 406.03232
411.0 0.002433 400.05768 404.85245
421.0 0.002375 398.57690 403.72299
397.0 0.002519 397.11017 402.64984
402.0 0.002488 395.65759 401.64084
400.0 0.002500 394.21884 400.70529
418.0 0.002392 392.79413 399.85565
405.0 0.002469 391.38321 399.10815
412.0 0.002427 389.98596 398.48389
422.0 0.002370 388.60236 398.01340
429.0 0.002331 387.23221 397.74115
425.0 0.002353 385.87576 397.74734
421.0 0.002375 384.53265 398.22495
418.0 0.002392 383.20282 399.67963
454.0 0.002203 381.88617 403.18149
444.0 0.002252 380.58267 410.26169
456.0 0.002193 379.29236 422.08920
461.0 0.002169 378.01508 438.98218
473.0 0.002114 376.75058 460.46417
476.0 0.002101 375.49893 485.87729
515.0 0.001942 374.25998 514.78851
488.0 0.002049 373.03378 547.21332
581.0 0.001721 371.82025 583.53522
551.0 0.001815 370.61926 624.39331
635.0 0.001575 369.43051 670.67700
635.0 0.001575 368.25415 723.58649
687.0 0.001456 367.09021 784.77173
768.0 0.001302 365.93845 856.57147
790.0 0.001266 364.79898 942.42175
907.0 0.001103 363.67126 1047.74146
1045.0 0.000957 362.55551 1182.02478
1224.0 0.000817 361.45197 1363.60718
1522.0 0.000657 360.36017 1622.94275
1862.0 0.000537 359.28006 1975.18188
2170.0 0.000461 358.21158 2331.31934
2344.0 0.000427 357.15469 2440.97241
2112.0 0.000473 356.10944 2128.85400
1737.0 0.000576 355.07571 1605.16174
1344.0 0.000744 354.05334 1082.93469
920.0 0.001087 353.04218 716.91583
640.0 0.001563 352.04239 530.56995
489.0 0.002045 351.05362 453.11404
456.0 0.002193 350.07602 420.46030
404.0 0.002475 349.10962 402.80798
389.0 0.002571 348.15393 390.95596
375.0 0.002667 347.20926 382.22260
382.0 0.002618 346.27533 375.48877
373.0 0.002681 345.35220 370.12161
356.0 0.002809 344.43979 365.72433
370.0 0.002703 343.53787 362.03616
367.0 0.002725 342.64658 358.88040
349.0 0.002865 341.76566 356.13309
377.0 0.002653 340.89529 353.70505
374.0 0.002674 340.03519 351.53094
347.0 0.002882 339.18530 349.56174
345.0 0.002899 338.34564 347.76068
367.0 0.002725 337.51611 346.09885
374.0 0.002674 336.69662 344.55408
367.0 0.002725 335.88727 343.10849
369.0 0.002710 335.08762 341.74765
351.0 0.002849 334.29803 340.46042
358.0 0.002793 333.51810 339.23715
341.0 0.002933 332.74792 338.07025
319.0 0.003135 331.98743 336.95325
345.0 0.002899 331.23660 335.88068
364.0 0.002747 330.49521 334.84824
368.0 0.002717 329.76324 331.23352
340.0 0.002941 329.04086 330.42117
329.0 0.003040 328.32779 328.32632
333.0 0.003003 327.62381 331.94473
324.0 0.003086 326.92920 331.48300
345.0 0.002899 326.24371 331.04999
339.0 0.002950 325.56735 332.90057
306.0 0.003268 324.89999 332.65686
346.0 0.002890 324.24155 332.46066
348.0 0.002874 323.59204 332.31705
328.0 0.003049 322.95145 332.23181
350.0 0.002857 322.31952 332.21170
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1310.0 0.000763 315.95309 1340.24377
859.0 0.001164 315.77731 965.62506
652.0 0.001534 315.60153 716.82935
527.0 0.001898 315.42596 580.52307
466.0 0.002146 315.25034 512.87183
444.0 0.002252 315.07492 479.73093
420.0 0.002381 314.89957 461.53928
418.0 0.002392 314.72430 451.83377
444.0 0.002252 314.54913 448.81830
454.0 0.002203 314.37411 451.97165
481.0 0.002079 314.19910 465.17065
469.0 0.002132 314.02432 490.55716
519.0 0.001927 313.84961 530.98779
626.0 0.001597 313.67502 590.26678
739.0 0.001353 313.50058 679.48035
966.0 0.001035 313.32623 806.34454
1051.0 0.000951 313.15195 985.01062
1287.0 0.000777 312.97781 1213.41882
1512.0 0.000661 312.80392 1451.87097
1734.0 0.000577 312.63004 1630.99878
1854.0 0.000539 312.45627 1759.82349
2006.0 0.000499 312.28275 1967.97876
2424.0 0.000413 312.10928 2332.41309
3042.0 0.0003287 311.93597 2809.93066
3624.0 0.0002759 311.76279 3194.30713
3532.0 0.0002831 311.58972 3250.86914
2865.0 0.0003490 311.41693 2867.48877
2461.0 0.000406 311.24417 2378.64038
2206.0 0.000453 311.07166 2066.81812
2007.0 0.000498 310.89917 1876.84741
1572.0 0.000636 310.72684 1604.42639
1173.0 0.000853 310.55481 1224.47156
852.0 0.001174 310.38275 895.72491
667.0 0.001499 310.21106 690.39581
524.0 0.001908 310.03940 589.36206
470.0 0.002128 309.86786 550.93707
482.0 0.002075 309.69659 540.26593
519.0 0.001927 309.52545 543.20709
512.0 0.001953 309.35446 537.30267
473.0 0.002114 309.18372 510.65927
459.0 0.002179 309.01300 475.43384
450.0 0.002222 308.84259 451.78922
399.0 0.002506 308.67233 436.02112
348.0 0.002874 308.50220 417.49490
337.0 0.002967 308.33237 393.18289
341.0 0.002933 308.16260 371.12061
339.0 0.002950 307.99313 355.73508
326.0 0.003067 307.82376 346.22610
315.0 0.003175 307.65466 340.32217
309.0 0.003236 307.48569 336.24384
278.0 0.00360 307.31689 333.08981
279.0 0.00358 307.14828 330.48801
283.0 0.00353 306.97992 328.27112
293.0 0.003413 306.81180 326.34872
301.0 0.003322 306.64386 324.65820
296.0 0.003378 306.47604 323.15552
282.0 0.00355 306.30850 321.80875
278.0 0.00360 306.14120 320.59152
279.0 0.00358 305.97403 319.48462
278.0 0.00360 305.80716 318.47162
283.0 0.00353 305.64038 316.41391
283.0 0.00353 305.47397 315.60437
272.0 0.00368 305.30765 314.85278
294.0 0.003401 305.14163 314.15274
295.0 0.003390 304.97586 313.49771
281.0 0.00356 304.81012 312.33646
309.0 0.003236 304.64484 307.85736
274.0 0.00365 304.47961 307.51379
293.0 0.003413 304.31470 307.18530
288.0 0.003472 304.15002 306.87024
287.0 0.003484 303.98560 306.56708
317.0 0.003155 303.82135 304.36880
258.0 0.00388 303.65732 304.17285
288.0 0.003472 303.49359 303.97995
305.0 0.003279 303.33008 303.78973
280.0 0.00357 303.16675 303.60193
272.0 0.00368 303.00378 303.41635
297.0 0.003367 302.84094 303.23285
264.0 0.00379 302.67844 303.05106
261.0 0.00383 302.51617 302.66022
292.0 0.003425 302.35403 302.49127
279.0 0.00358 302.19226 302.32327
275.0 0.00364 302.03073 302.15598
262.0 0.00382 301.86948 301.98932
306.0 0.003268 301.70847 301.72073
282.0 0.00355 301.54770 301.55997
290.0 0.003448 301.38721 301.39951
247.0 0.00405 301.22690 301.23917
257.0 0.00389 301.06693 301.07928
298.0 0.003356 300.90726 300.91956
267.0 0.00375 300.74774 300.76004
263.0 0.00380 300.58862 300.60086
258.0 0.00388 300.42966 300.44196
278.0 0.00360 300.27106 300.28336
295.0 0.003390 300.11270 300.12497
304.0 0.003289 299.95456 299.96683
288.0 0.003472 299.79678 299.80908
278.0 0.00360 299.63919 299.65149
297.0 0.003367 299.48203 299.49426
289.0 0.003460 299.32498 299.33728
277.0 0.00361 299.16824 299.18054
268.0 0.00373 299.01181 299.02414
273.0 0.00366 298.85568 298.86798
301.0 0.003322 298.69986 298.71216
303.0 0.003300 298.54431 298.55661
287.0 0.003484 298.38901 298.40131
294.0 0.003401 298.23410 298.24634
298.0 0.003356 298.07938 298.09164
299.0 0.003344 297.92499 297.93732
311.0 0.003215 297.77090 297.78317
305.0 0.003279 297.61707 297.62933
292.0 0.003425 297.46356 297.47589
285.0 0.00351 297.31030 297.32260
293.0 0.003413 297.15750 297.16980
287.0 0.003484 297.00485 299.57678
298.0 0.003356 296.85254 299.55371
287.0 0.003484 296.70059 299.54102
297.0 0.003367 296.54886 299.53970
310.0 0.003226 296.39749 299.55103
289.0 0.003460 296.24643 300.86462
298.0 0.003356 296.09570 300.97104
309.0 0.003236 295.94519 301.09991
275.0 0.00364 295.79514 301.25397
283.0 0.00353 295.64529 301.43640
288.0 0.003472 295.49582 301.65063
285.0 0.00351 295.34656 301.90094
289.0 0.003460 295.19778 310.67560
289.0 0.003460 295.04919 311.43851
311.0 0.003215 294.90100 312.28745
289.0 0.003460 294.75305 313.23407
267.0 0.00375 294.60544 314.29224
298.0 0.003356 294.45822 319.73999
316.0 0.003165 294.31125 321.28668
303.0 0.003300 294.16470 323.01944
269.0 0.00372 294.01843 324.96921
312.0 0.003205 293.87247 327.17319
308.0 0.003247 293.72684 329.67526
316.0 0.003165 293.58160 332.53418
339.0 0.002950 293.43668 335.82056
294.0 0.003401 293.29202 339.62909
325.0 0.003077 293.14777 347.31479
328.0 0.003049 293.00388 352.73853
349.0 0.002865 292.86023 359.21082
330.0 0.003030 292.71698 367.05798
348.0 0.002874 292.57401 376.81461
381.0 0.002625 292.43143 391.09225
408.0 0.002451 292.28925 409.53024
429.0 0.002331 292.14731 435.79208
424.0 0.002358 292.00580 476.76392
520.0 0.001923 291.86453 540.78931
600.0 0.001667 291.72369 636.24127
739.0 0.001353 291.58322 774.05743
1007.0 0.000993 291.44299 971.16992
1319.0 0.000758 291.30322 1232.22375
1719.0 0.000582 291.16379 1548.37134
2004.0 0.000499 291.02463 1844.54492
2026.0 0.000494 290.88589 1987.36230
1880.0 0.000532 290.74753 1885.10803
1733.0 0.000577 290.60947 1681.06702
1670.0 0.000599 290.47186 1573.24988
1731.0 0.000578 290.33444 1590.67297
1761.0 0.000568 290.19748 1662.44116
1780.0 0.000562 290.06082 1745.70947
1983.0 0.000504 289.92468 1930.72852
2407.0 0.000415 289.78873 2346.62842
3127.0 0.0003198 289.65317 3034.24146
4145.0 0.0002413 289.51797 3959.94751
5089.0 0.0001965 289.38327 4923.47949
5391.0 0.0001855 289.24875 5499.40430
4878.0 0.0002050 289.11469 5269.34766
4057.0 0.0002465 288.98093 4476.12939
3600.0 0.0002778 288.84772 3815.45972
3400.0 0.0002941 288.71466 3486.92554
3208.0 0.0003117 288.58206 3238.00586
2602.0 0.000384 288.44995 2756.15161
1902.0 0.000526 288.31796 2134.95142
1553.0 0.000644 288.18652 1669.58276
1486.0 0.000673 288.05539 1471.24231
1516.0 0.000660 287.92468 1519.90710
1799.0 0.000556 287.79434 1745.78076
2093.0 0.000478 287.66428 2069.64526
2304.0 0.000434 287.53473 2348.97485
2430.0 0.000412 287.40543 2405.43701
2155.0 0.000464 287.27661 2196.03271
1908.0 0.000524 287.14816 1953.00830
1708.0 0.000585 287.01996 1848.60938
1776.0 0.000563 286.89230 1839.90942
1665.0 0.000601 286.76498 1768.83643
1466.0 0.000682 286.63797 1542.51025
1201.0 0.000833 286.51141 1235.40027
908.0 0.001101 286.38522 978.20410
712.0 0.001404 286.25946 822.70386
631.0 0.001585 286.13400 739.04993
585.0 0.001709 286.00906 672.84937
551.0 0.001815 285.88437 591.26849
465.0 0.002151 285.76004 512.22723
434.0 0.002304 285.63620 453.65280
345.0 0.002899 285.51270 413.97220
353.0 0.002833 285.38968 391.87573
326.0 0.003067 285.26694 378.23123
348.0 0.002874 285.14453 369.08029
328.0 0.003049 285.02261 362.68311
347.0 0.002882 284.90109 357.28207
349.0 0.002865 284.77997 355.50519
349.0 0.002865 284.65927 356.61328
362.0 0.002762 284.53888 361.41702
370.0 0.002703 284.41891 370.62717
379.0 0.002639 284.29938 385.58267
406.0 0.002463 284.18018 408.38535
450.0 0.002222 284.06140 437.00421
495.0 0.002020 283.94302 458.60883
510.0 0.001961 283.82507 477.74948
496.0 0.002016 283.70749 472.66293
476.0 0.002101 283.59036 450.13174
433.0 0.002309 283.47351 426.15970
427.0 0.002342 283.35709 417.48541
425.0 0.002353 283.24112 413.26572
416.0 0.002404 283.12555 403.19577
418.0 0.002392 283.01041 387.82687
424.0 0.002358 282.89563 378.58438
432.0 0.002315 282.78119 377.15405
436.0 0.002294 282.66724 387.72540
494.0 0.002024 282.55365 413.35742
577.0 0.001733 282.44058 458.56323
620.0 0.001613 282.32776 536.26031
701.0 0.001427 282.21536 650.97931
857.0 0.001167 282.10342 816.98932
1175.0 0.000851 281.99188 1053.56274
1629.0 0.000614 281.88074 1338.87280
2007.0 0.000498 281.76996 1626.54980
2046.0 0.000489 281.65964 1796.88843
1821.0 0.000549 281.54974 1730.33728
1538.0 0.000650 281.44025 1503.75720
1404.0 0.000712 281.33115 1306.35669
1325.0 0.000755 281.22244 1206.64587
1204.0 0.000831 281.11411 1138.59485
1072.0 0.000933 281.00626 1005.74841
780.0 0.001282 280.89880 806.87054
576.0 0.001736 280.79172 626.33801
473.0 0.002114 280.68512 503.84644
442.0 0.002262 280.57880 434.17780
392.0 0.002551 280.47296 399.06598
374.0 0.002674 280.36758 380.17355
310.0 0.003226 280.26260 369.47931
353.0 0.002833 280.15799 363.15646
313.0 0.003195 280.05386 359.71671
354.0 0.002825 279.95007 358.54300
340.0 0.002941 279.84674 359.38272
342.0 0.002924 279.74384 362.21832
362.0 0.002762 279.64124 367.27454
395.0 0.002532 279.53909 375.16336
402.0 0.002488 279.43747 387.24173
417.0 0.002398 279.33615 406.23605
461.0 0.002169 279.23535 436.56314
578.0 0.001730 279.13489 485.70816
683.0 0.001464 279.03482 562.03741
813.0 0.001230 278.93524 674.17725
945.0 0.001058 278.83597 837.84656
1166.0 0.000858 278.73721 1064.48975
1421.0 0.000704 278.63882 1334.42627
1688.0 0.000592 278.54083 1603.96875
1796.0 0.000557 278.44333 1779.53516
1886.0 0.000530 278.34625 1827.14307
1929.0 0.000518 278.24957 1851.30847
2046.0 0.000489 278.15323 1944.87354
2181.0 0.000459 278.05740 2062.01123
2205.0 0.000454 277.96191 2072.39795
2102.0 0.000476 277.86688 1971.97388
2071.0 0.000483 277.77225 1905.76294
2182.0 0.000458 277.67813 1947.67712
2235.0 0.000447 277.58432 2034.95007
2125.0 0.000471 277.49097 2006.47986
1862.0 0.000537 277.39801 1811.16467
1651.0 0.000606 277.30545 1612.68372
1600.0 0.000625 277.21332 1547.12537
1745.0 0.000573 277.12170 1627.94116
1911.0 0.000523 277.03046 1758.79138
1998.0 0.000501 276.93954 1827.87000
1894.0 0.000528 276.84912 1772.12964
1650.0 0.000606 276.75922 1569.18823
1346.0 0.000743 276.66953 1314.63135
1117.0 0.000895 276.58041 1132.27808
1048.0 0.000954 276.49167 1039.84326
1011.0 0.000989 276.40332 975.73700
869.0 0.001151 276.31546 864.56592
672.0 0.001488 276.22797 709.60883
551.0 0.001815 276.14090 569.63177
454.0 0.002203 276.05420 472.53281
366.0 0.002732 275.96805 414.76163
358.0 0.002793 275.88223 382.48193
329.0 0.003040 275.79681 363.67822
310.0 0.003226 275.71188 351.52625
329.0 0.003040 275.62729 342.98877
327.0 0.003058 275.54321 336.72797
324.0 0.003086 275.45947 331.95981
355.0 0.002817 275.37619 328.01160
330.0 0.003030 275.29333 324.30072
291.0 0.003436 275.21088 320.83661
313.0 0.003195 275.12881 318.04684
351.0 0.002849 275.04724 316.07349
363.0 0.002755 274.96606 314.74039
328.0 0.003049 274.88528 313.74493
371.0 0.002695 274.80493 311.07904
401.0 0.002494 274.72507 310.98090
379.0 0.002639 274.64554 311.63693
380.0 0.002632 274.56638 313.19116
419.0 0.002387 274.48773 315.82175
459.0 0.002179 274.40945 317.43207
385.0 0.002597 274.33170 323.92593
435.0 0.002299 274.25427 334.43027
479.0 0.002088 274.17728 352.03857
509.0 0.001965 274.10068 381.54962
525.0 0.001905 274.02454 426.66959
581.0 0.001721 273.94879 498.97174
676.0 0.001479 273.87347 603.37335
801.0 0.001248 273.79855 745.71320
943.0 0.001060 273.72415 909.09216
1055.0 0.000948 273.64999 1052.33301
1165.0 0.000858 273.57642 1108.46667
1102.0 0.000907 273.50320 1033.89417
945.0 0.001058 273.43036 906.24445
877.0 0.001140 273.35794 814.29785
758.0 0.001319 273.28595 771.68182
716.0 0.001397 273.21448 738.10931
624.0 0.001603 273.14331 664.04266
555.0 0.001802 273.07254 555.33820
496.0 0.002016 273.00220 457.45911
424.0 0.002358 272.93234 397.93475
388.0 0.002577 272.86295 358.53030
356.0 0.002809 272.79388 337.38144
316.0 0.003165 272.72516 325.85587
301.0 0.003322 272.65701 318.95047
294.0 0.003401 272.58914 314.39899
316.0 0.003165 272.52182 315.49786
327.0 0.003058 272.45474 313.57111
312.0 0.003205 272.38818 312.41409
294.0 0.003401 272.32205 311.88269
304.0 0.003289 272.25629 311.87888
313.0 0.003195 272.19101 312.36514
312.0 0.003205 272.12607 313.30914
316.0 0.003165 272.06161 314.70993
305.0 0.003279 271.99750 316.58676
298.0 0.003356 271.93381 318.98026
294.0 0.003401 271.87054 321.96555
304.0 0.003289 271.80768 325.64203
314.0 0.003185 271.74524 330.15994
330.0 0.003030 271.68320 336.24393
330.0 0.003030 271.62155 343.29520
363.0 0.002755 271.56036 352.48804
374.0 0.002674 271.49960 365.44946
399.0 0.002506 271.43918 384.08618
434.0 0.002304 271.37924 412.60800
465.0 0.002151 271.31961 456.93015
570.0 0.001754 271.26047 523.78406
665.0 0.001504 271.20172 617.72321
782.0 0.001279 271.14340 746.29181
951.0 0.001052 271.08545 899.34979
1019.0 0.000981 271.02789 1048.15222
1144.0 0.000874 270.97083 1140.97473
1170.0 0.000855 270.91412 1134.36426
1130.0 0.000885 270.85770 1074.64038
1163.0 0.000860 270.80188 1062.51453
1286.0 0.000778 270.74634 1144.47253
1387.0 0.000721 270.69119 1327.81555
1767.0 0.000566 270.63660 1604.92578
2144.0 0.000466 270.58218 1998.62549
2682.0 0.000373 270.52841 2582.81738
3496.0 0.0002860 270.47488 3350.48755
4290.0 0.0002331 270.42181 4140.46777
4605.0 0.0002172 270.36914 4656.15088
4447.0 0.0002249 270.31686 4546.25391
3836.0 0.0002607 270.26495 3924.96875
3209.0 0.0003116 270.21356 3321.05298
2812.0 0.000356 270.16245 2990.65088
2715.0 0.000368 270.11179 2843.73267
2478.0 0.000404 270.06149 2606.60645
2031.0 0.000492 270.01163 2126.73950
1464.0 0.000683 269.96219 1563.80505
1023.0 0.000978 269.91312 1111.14722
762.0 0.001312 269.86447 818.20282
622.0 0.001608 269.81613 654.05756
567.0 0.001764 269.76831 570.14502
516.0 0.001938 269.72073 530.84943
500.0 0.002000 269.67371 518.94482
541.0 0.001848 269.62698 528.67126
603.0 0.001658 269.58063 559.91217
633.0 0.001580 269.53476 610.94305
693.0 0.001443 269.48929 673.37451
755.0 0.001325 269.44418 732.74304
765.0 0.001307 269.39941 770.68573
766.0 0.001305 269.35507 792.50830
821.0 0.001218 269.31116 824.04266
927.0 0.001079 269.26758 874.24597
1030.0 0.000971 269.22437 938.11023
1105.0 0.000905 269.18161 996.72900
1102.0 0.000907 269.13922 1013.31793
972.0 0.001029 269.09723 955.91107
834.0 0.001199 269.05563 845.21356
757.0 0.001321 269.01443 740.55524
687.0 0.001456 268.97357 672.76544
667.0 0.001499 268.93311 632.70380
602.0 0.001661 268.89310 591.21411
495.0 0.002020 268.85333 526.97766
413.0 0.002421 268.81409 455.75043
390.0 0.002564 268.77518 398.79776
359.0 0.002786 268.73663 359.83493
320.0 0.003125 268.69855 336.93329
289.0 0.003460 268.66074 323.53006
308.0 0.003247 268.62332 315.12463
297.0 0.003367 268.58643 309.23340
301.0 0.003322 268.54977 304.97415
295.0 0.003390 268.51352 293.34854
276.0 0.00362 268.47766 290.75479
263.0 0.00380 268.44226 288.61832
264.0 0.00379 268.40707 286.83411
276.0 0.00362 268.37234 285.32806
272.0 0.00368 268.33798 279.97241
276.0 0.00362 268.30399 279.06277
278.0 0.00360 268.27042 278.29443
258.0 0.00388 268.23721 277.64511
261.0 0.00383 268.20435 277.09781
228.0 0.00439 268.17184 276.64044
281.0 0.00356 268.13977 276.26352
269.0 0.00372 268.10800 275.96036
282.0 0.00355 268.07666 275.72702
274.0 0.00365 268.04565 275.56107
315.0 0.003175 268.01508 276.15564
284.0 0.00352 267.98477 276.16287
297.0 0.003367 267.95490 276.24826
297.0 0.003367 267.92545 276.42065
290.0 0.003448 267.89621 276.20236
269.0 0.00372 267.86746 276.95047
298.0 0.003356 267.83902 277.52435
300.0 0.003333 267.81104 278.01413
263.0 0.00380 267.78329 279.02859
262.0 0.00382 267.75595 280.13904
258.0 0.00388 267.72900 282.05148
252.0 0.00397 267.70239 283.95926
279.0 0.00358 267.67615 288.42319
290.0 0.003448 267.65030 296.01712
318.0 0.003145 267.62476 308.49023
335.0 0.002985 267.59967 328.34161
366.0 0.002732 267.57480 357.64349
407.0 0.002457 267.55032 395.65814
471.0 0.002123 267.52625 442.69348
519.0 0.001927 267.50253 487.22562
524.0 0.001908 267.47913 510.59927
496.0 0.002016 267.45609 500.95023
441.0 0.002268 267.43347 466.42303
425.0 0.002353 267.41110 435.80072
408.0 0.002451 267.38913 421.35278
403.0 0.002481 267.36755 415.48718
387.0 0.002584 267.34628 404.79993
370.0 0.002703 267.32538 381.28430
353.0 0.002833 267.30478 352.36826
316.0 0.003165 267.28461 328.74466
298.0 0.003356 267.26468 313.76324
309.0 0.003236 267.24518 306.32895
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395.0 . . .
