#------------------------------------------------------------------------------
#$Date: 2025-07-01 14:32:04 +0300 (Tue, 01 Jul 2025) $
#$Revision: 1283 $
#$URL: svn://crystallography.net/testcod/cif/4/00/00/4000066.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_4000066
loop_
_publ_author_name
'Calvert, Craig'
'Joesten, Raymond'
'Ngala, Katana'
'Villegas, Josanlet'
'Morey, Aimee'
'Shen, Xiongfei'
'Suib, Steven L.'
_publ_section_title
;
 Synthesis, Characterization, and Rietveld Refinement of
 Tungsten-Framework-Doped Porous Manganese Oxide (K-OMS-2) Material
;
_journal_issue                   20
_journal_name_full               'Chemistry of Materials'
_journal_page_first              6382
_journal_page_last               6388
_journal_paper_doi               10.1021/cm801146m
_journal_volume                  20
_journal_year                    2008
_chemical_formula_sum            'K0.07 Mn0.5 O W0'
_chemical_formula_weight         46.58
_space_group_IT_number           87
_space_group_name_Hall           '-I 4'
_space_group_name_H-M_alt        'I 4/m'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'I 4/m'
_audit_creation_date             2006-12-11T09:53
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2006-12-11T09:53  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            16
_cell_length_a                   9.81605(14)
_cell_length_b                   9.81605
_cell_length_c                   2.85489(5)
_cell_volume                     275.082(6)
_computing_structure_refinement  GSAS
_diffrn_radiation_polarisn_ratio 0.5
_diffrn_radiation_probe          x-ray
_exptl_absorpt_correction_T_max  0.81523
_exptl_absorpt_correction_T_min  0.08609
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 3
 Surface roughness abs. correction (Suortti)
Terms =     0.31883E-01    0.39786    
Correction is not refined.
;
_pd_block_id
2006-12-11T09:53|W-ATE1-50D|Katana_Ngala|Scintag_XDS2000
_pd_calc_method                  'Rietveld Refinement'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        80.0
_pd_meas_2theta_range_min        5.0
_pd_meas_number_of_points        3751
_pd_phase_name
'from C:/Documents and Settings/Katana Ngala/My Documents/refinemen'
_pd_proc_2theta_range_inc        0.02
_pd_proc_2theta_range_max        80.0
_pd_proc_2theta_range_min        5.0
_pd_proc_info_datetime           2006-12-11T09:53:51
_pd_proc_info_excluded_regions   ' ?'
_pd_proc_ls_background_function
;   GSAS Background function number 1 with  6 terms.
 Shifted Chebyshev function of 1st kind
      1:    1060.03     2:   -1208.63     3:    727.052     4:   -383.116    
      5:    141.412     6:   -23.5858    
;
_pd_proc_ls_peak_cutoff          0.00500
_pd_proc_ls_profile_function
;
 CW Profile function number 2 with  18 terms
 Profile coefficients for Simpson's rule integration of pseudovoigt function
 C.J. Howard (1982). J. Appl. Cryst.,15,615-620.
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 #1(GU)   =   96.201 #2(GV)   =   -0.957 #3(GW)   =    4.594
 #4(LX)   =   18.853 #5(LY)   =   24.500 #6(trns) =    0.000
 #7(asym) =  -3.3003 #8(shft) =   3.4041 #9(GP)   =    0.000
 #10(stec)=   -22.45 #11(ptec)=    -7.93 #12(sfec)=     0.00
 #13(L11) =    0.075 #14(L22) =    0.000 #15(L33) =    0.000
 #16(L12) =   -0.051 #17(L13) =    0.000 #18(L23) =    0.000
 Peak tails are ignored  where the intensity is below 0.0050 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_prof_R_factor        0.0426
_pd_proc_ls_prof_wR_expected     0.0274
_pd_proc_ls_prof_wR_factor       0.0569
_pd_proc_number_of_points        3751
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   2.08
_refine_ls_matrix_type           full
_refine_ls_number_parameters     9
_refine_ls_number_restraints     0
_refine_ls_R_Fsqd_factor         0.06145
_refine_ls_shift/su_max          0.02
_refine_ls_shift/su_mean         0.01
_reflns_d_resolution_high        1.215
_reflns_d_resolution_low         3.470
_reflns_limit_h_max              8
_reflns_limit_h_min              0
_reflns_limit_k_max              8
_reflns_limit_k_min              0
_reflns_limit_l_max              2
_reflns_limit_l_min              0
_reflns_number_total             106
_cod_data_source_file            cm801146m_si_001.cif
_cod_data_source_block           W-ATE1-50D_publ
_cod_original_cell_volume        275.083(8)
_cod_original_sg_symbol_H-M      I4/m
_cod_original_formula_sum        'K0.07 Mn0.50 O W0.00'
_cod_database_code               4000066
_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 -y,+x,+z
3 -x,-y,+z
4 +y,-x,+z
-1 -x,-y,-z
-2 +y,-x,-z
-3 +x,+y,-z
-4 -y,+x,-z
101 +x+1/2,+y+1/2,+z+1/2
102 -y+1/2,+x+1/2,+z+1/2
103 -x+1/2,-y+1/2,+z+1/2
104 +y+1/2,-x+1/2,+z+1/2
-101 -x+1/2,-y+1/2,-z+1/2
-102 +y+1/2,-x+1/2,-z+1/2
-103 +x+1/2,+y+1/2,-z+1/2
-104 -y+1/2,+x+1/2,-z+1/2
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
K K1 0.0 0.0 0.5 0.53102 Uiso 0.025 2
Mn Mn1 0.35047 0.16824 0.0 0.99193 Uiso 0.025 8
O O1 0.54683 0.16008 0.0 1.0 Uiso 0.025 8
O O2 0.15671 0.20136 0.0 1.0 Uiso 0.025 8
W W 0.35047 0.16824 0.0 0.00807 Uiso 0.025 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
K 1.062 0.000 0.000 8.21860 12.7949 7.43980 0.77480 1.05190 213.187 0.86590
41.6841 1.42280 International_Tables_Vol_C
Mn 7.935 0.000 0.000 11.2819 5.34090 7.35730 0.34320 3.01930 17.8674 2.24410
83.7543 1.08960 International_Tables_Vol_C
O 16.0 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
W 0.065 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
loop_
_diffrn_radiation_wavelength
_diffrn_radiation_wavelength_wt
_diffrn_radiation_type
_diffrn_radiation_wavelength_id
1.540600 1.000 CuK\a~1~ 1
1.544400 0.500 CuK\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
K1 K1 K1 180.0 1_554 . 1_556 N
K1 K1 Mn1 90.0 1_554 . 101_445 N
K1 K1 Mn1 90.0 1_554 . 102_545 N
K1 K1 Mn1 90.0 1_554 . 103_555 N
K1 K1 Mn1 90.0 1_554 . 104_455 N
K1 K1 O2 60.3197(5) 1_554 . 1_555 N
K1 K1 O2 119.6803(5) 1_554 . 1_556 N
K1 K1 O2 60.3197(5) 1_554 . 2_555 N
K1 K1 O2 119.6803(5) 1_554 . 2_556 N
K1 K1 O2 60.3197(5) 1_554 . 3_555 N
K1 K1 O2 119.6803(5) 1_554 . 3_556 N
K1 K1 O2 60.3197(5) 1_554 . 4_555 N
K1 K1 O2 119.6803(5) 1_554 . 4_556 N
K1 K1 W 90.0 1_554 . 101_445 N
K1 K1 W 90.0 1_554 . 102_545 N
K1 K1 W 90.0 1_554 . 103_555 N
K1 K1 W 90.0 1_554 . 104_455 N
K1 K1 Mn1 90.0 1_556 . 101_445 N
K1 K1 Mn1 90.0 1_556 . 102_545 N
K1 K1 Mn1 90.0 1_556 . 103_555 N
K1 K1 Mn1 90.0 1_556 . 104_455 N
K1 K1 O2 119.6803(5) 1_556 . 1_555 N
K1 K1 O2 60.3197(5) 1_556 . 1_556 N
K1 K1 O2 119.6803(5) 1_556 . 2_555 N
K1 K1 O2 60.3197(5) 1_556 . 2_556 N
K1 K1 O2 119.6803(5) 1_556 . 3_555 N
K1 K1 O2 60.3197(5) 1_556 . 3_556 N
K1 K1 O2 119.6803(5) 1_556 . 4_555 N
K1 K1 O2 60.3197(5) 1_556 . 4_556 N
K1 K1 W 90.0 1_556 . 101_445 N
K1 K1 W 90.0 1_556 . 102_545 N
K1 K1 W 90.0 1_556 . 103_555 N
K1 K1 W 90.0 1_556 . 104_455 N
Mn1 K1 Mn1 90.0 101_445 . 102_545 N
Mn1 K1 Mn1 180.0 101_445 . 103_555 N
Mn1 K1 Mn1 90.0 101_445 . 104_455 N
Mn1 K1 O2 147.6007(5) 101_445 . 1_555 N
Mn1 K1 O2 147.6007(5) 101_445 . 1_556 N
Mn1 K1 O2 101.81400(10) 101_445 . 2_555 N
Mn1 K1 O2 101.81400(10) 101_445 . 2_556 N
Mn1 K1 O2 32.3993(5) 101_445 . 3_555 N
Mn1 K1 O2 32.3993(5) 101_445 . 3_556 N
Mn1 K1 O2 78.18600(10) 101_445 . 4_555 N
Mn1 K1 O2 78.18600(10) 101_445 . 4_556 N
Mn1 K1 W 0.0 101_445 . 101_445 N
Mn1 K1 W 90.0 101_445 . 102_545 N
Mn1 K1 W 180.0 101_445 . 103_555 N
Mn1 K1 W 90.0 101_445 . 104_455 N
Mn1 K1 Mn1 90.0 102_545 . 103_555 N
Mn1 K1 Mn1 180.0 102_545 . 104_455 N
Mn1 K1 O2 78.18600(10) 102_545 . 1_555 N
Mn1 K1 O2 78.18600(10) 102_545 . 1_556 N
Mn1 K1 O2 147.6007(5) 102_545 . 2_555 N
Mn1 K1 O2 147.6007(5) 102_545 . 2_556 N
Mn1 K1 O2 101.81400(10) 102_545 . 3_555 N
Mn1 K1 O2 101.81400(10) 102_545 . 3_556 N
Mn1 K1 O2 32.3993(5) 102_545 . 4_555 N
Mn1 K1 O2 32.3993(5) 102_545 . 4_556 N
Mn1 K1 W 90.0 102_545 . 101_445 N
Mn1 K1 W 0.0 102_545 . 102_545 N
Mn1 K1 W 90.0 102_545 . 103_555 N
Mn1 K1 W 180.0 102_545 . 104_455 N
Mn1 K1 Mn1 90.0 103_555 . 104_455 N
Mn1 K1 O2 32.3993(5) 103_555 . 1_555 N
Mn1 K1 O2 32.3993(5) 103_555 . 1_556 N
Mn1 K1 O2 78.18600(10) 103_555 . 2_555 N
Mn1 K1 O2 78.18600(10) 103_555 . 2_556 N
Mn1 K1 O2 147.6007(5) 103_555 . 3_555 N
Mn1 K1 O2 147.6007(5) 103_555 . 3_556 N
Mn1 K1 O2 101.81400(10) 103_555 . 4_555 N
Mn1 K1 O2 101.81400(10) 103_555 . 4_556 N
Mn1 K1 W 180.0 103_555 . 101_445 N
Mn1 K1 W 90.0 103_555 . 102_545 N
Mn1 K1 W 0.0 103_555 . 103_555 N
Mn1 K1 W 90.0 103_555 . 104_455 N
Mn1 K1 O2 101.81400(10) 104_455 . 1_555 N
Mn1 K1 O2 101.81400(10) 104_455 . 1_556 N
Mn1 K1 O2 32.3993(5) 104_455 . 2_555 N
Mn1 K1 O2 32.3993(5) 104_455 . 2_556 N
Mn1 K1 O2 78.18600(10) 104_455 . 3_555 N
Mn1 K1 O2 78.18600(10) 104_455 . 3_556 N
Mn1 K1 O2 147.6007(5) 104_455 . 4_555 N
Mn1 K1 O2 147.6007(5) 104_455 . 4_556 N
Mn1 K1 W 90.0 104_455 . 101_445 N
Mn1 K1 W 180.0 104_455 . 102_545 N
Mn1 K1 W 90.0 104_455 . 103_555 N
Mn1 K1 W 0.0 104_455 . 104_455 N
O2 K1 O2 59.3605(11) 1_555 . 1_556 N
O2 K1 O2 75.8074(5) 1_555 . 2_555 N
O2 K1 O2 104.1926(5) 1_555 . 2_556 N
O2 K1 O2 120.6395(11) 1_555 . 3_555 N
O2 K1 O2 180.0 1_555 . 3_556 N
O2 K1 O2 75.8074(5) 1_555 . 4_555 N
O2 K1 O2 104.1926(5) 1_555 . 4_556 N
O2 K1 W 147.6007(5) 1_555 . 101_445 N
O2 K1 W 78.18600(10) 1_555 . 102_545 N
O2 K1 W 32.3993(5) 1_555 . 103_555 N
O2 K1 W 101.81400(10) 1_555 . 104_455 N
O2 K1 O2 104.1926(5) 1_556 . 2_555 N
O2 K1 O2 75.8074(5) 1_556 . 2_556 N
O2 K1 O2 180.0 1_556 . 3_555 N
O2 K1 O2 120.6395(11) 1_556 . 3_556 N
O2 K1 O2 104.1926(5) 1_556 . 4_555 N
O2 K1 O2 75.8074(5) 1_556 . 4_556 N
O2 K1 W 147.6007(5) 1_556 . 101_445 N
O2 K1 W 78.18600(10) 1_556 . 102_545 N
O2 K1 W 32.3993(5) 1_556 . 103_555 N
O2 K1 W 101.81400(10) 1_556 . 104_455 N
O2 K1 O2 59.3605(11) 2_555 . 2_556 N
O2 K1 O2 75.8074(5) 2_555 . 3_555 N
O2 K1 O2 104.1926(5) 2_555 . 3_556 N
O2 K1 O2 120.6395(11) 2_555 . 4_555 N
O2 K1 O2 180.0 2_555 . 4_556 N
O2 K1 W 101.81400(10) 2_555 . 101_445 N
O2 K1 W 147.6007(5) 2_555 . 102_545 N
O2 K1 W 78.18600(10) 2_555 . 103_555 N
O2 K1 W 32.3993(5) 2_555 . 104_455 N
O2 K1 O2 104.1926(5) 2_556 . 3_555 N
O2 K1 O2 75.8074(5) 2_556 . 3_556 N
O2 K1 O2 180.0 2_556 . 4_555 N
O2 K1 O2 120.6395(11) 2_556 . 4_556 N
O2 K1 W 101.81400(10) 2_556 . 101_445 N
O2 K1 W 147.6007(5) 2_556 . 102_545 N
O2 K1 W 78.18600(10) 2_556 . 103_555 N
O2 K1 W 32.3993(5) 2_556 . 104_455 N
O2 K1 O2 59.3605(11) 3_555 . 3_556 N
O2 K1 O2 75.8074(5) 3_555 . 4_555 N
O2 K1 O2 104.1926(5) 3_555 . 4_556 N
O2 K1 W 32.3993(5) 3_555 . 101_445 N
O2 K1 W 101.81400(10) 3_555 . 102_545 N
O2 K1 W 147.6007(5) 3_555 . 103_555 N
O2 K1 W 78.18600(10) 3_555 . 104_455 N
O2 K1 O2 104.1926(5) 3_556 . 4_555 N
O2 K1 O2 75.8074(5) 3_556 . 4_556 N
O2 K1 W 32.3993(5) 3_556 . 101_445 N
O2 K1 W 101.81400(10) 3_556 . 102_545 N
O2 K1 W 147.6007(5) 3_556 . 103_555 N
O2 K1 W 78.18600(10) 3_556 . 104_455 N
O2 K1 O2 59.3605(11) 4_555 . 4_556 N
O2 K1 W 78.18600(10) 4_555 . 101_445 N
O2 K1 W 32.3993(5) 4_555 . 102_545 N
O2 K1 W 101.81400(10) 4_555 . 103_555 N
O2 K1 W 147.6007(5) 4_555 . 104_455 N
O2 K1 W 78.18600(10) 4_556 . 101_445 N
O2 K1 W 32.3993(5) 4_556 . 102_545 N
O2 K1 W 101.81400(10) 4_556 . 103_555 N
O2 K1 W 147.6007(5) 4_556 . 104_455 N
W K1 W 90.0 101_445 . 102_545 N
W K1 W 180.0 101_445 . 103_555 N
W K1 W 90.0 101_445 . 104_455 N
W K1 W 90.0 102_545 . 103_555 N
W K1 W 180.0 102_545 . 104_455 N
W K1 W 90.0 103_555 . 104_455 N
K1 Mn1 O1 68.1176 101_554 . 1_555 N
K1 Mn1 O1 127.3173(5) 101_554 . 102_544 N
K1 Mn1 O1 127.3173(5) 101_554 . 102_545 N
K1 Mn1 O2 104.5629 101_554 . 1_555 N
K1 Mn1 O2 53.6193(5) 101_554 . 103_554 N
K1 Mn1 O2 53.6193(5) 101_554 . 103_555 N
O1 Mn1 O1 91.6614 1_555 . 102_544 N
O1 Mn1 O1 91.6614 1_555 . 102_545 N
O1 Mn1 O2 172.6805 1_555 . 1_555 N
O1 Mn1 O2 93.692 1_555 . 103_554 N
O1 Mn1 O2 93.692 1_555 . 103_555 N
O1 Mn1 O1 100.0717(12) 102_544 . 102_545 N
O1 Mn1 O2 93.0375 102_544 . 1_555 N
O1 Mn1 O2 81.6416(12) 102_544 . 103_554 N
O1 Mn1 O2 174.33350(10) 102_544 . 103_555 N
O1 Mn1 O2 93.0375 102_545 . 1_555 N
O1 Mn1 O2 174.33350(10) 102_545 . 103_554 N
O1 Mn1 O2 81.6416(12) 102_545 . 103_555 N
O2 Mn1 O2 81.45430(10) 1_555 . 103_554 N
O2 Mn1 O2 81.45430(10) 1_555 . 103_555 N
O2 Mn1 O2 96.1472(12) 103_554 . 103_555 N
Mn1 O1 Mn1 129.9152(6) 1_555 . 104_554 N
Mn1 O1 Mn1 129.9152(6) 1_555 . 104_555 N
Mn1 O1 W 0.0 1_555 . 1_555 N
Mn1 O1 W 129.9152(6) 1_555 . 104_554 N
Mn1 O1 W 129.9152(6) 1_555 . 104_555 N
Mn1 O1 Mn1 100.0717(12) 104_554 . 104_555 N
Mn1 O1 W 129.9152(6) 104_554 . 1_555 N
Mn1 O1 W 0.0 104_554 . 104_554 N
Mn1 O1 W 100.0717(12) 104_554 . 104_555 N
Mn1 O1 W 129.9152(6) 104_555 . 1_555 N
Mn1 O1 W 100.0717(12) 104_555 . 104_554 N
Mn1 O1 W 0.0 104_555 . 104_555 N
W O1 W 129.9152(6) 1_555 . 104_554 N
W O1 W 129.9152(6) 1_555 . 104_555 N
W O1 W 100.0717(12) 104_554 . 104_555 N
K1 O2 K1 59.3605(11) 1_554 . 1_555 N
K1 O2 Mn1 114.23370(10) 1_554 . 1_555 N
K1 O2 Mn1 93.9814(10) 1_554 . 103_554 N
K1 O2 Mn1 143.72960(20) 1_554 . 103_555 N
K1 O2 W 114.23370(10) 1_554 . 1_555 N
K1 O2 W 93.9814(10) 1_554 . 103_554 N
K1 O2 W 143.72960(20) 1_554 . 103_555 N
K1 O2 Mn1 114.23370(10) 1_555 . 1_555 N
K1 O2 Mn1 143.72960(20) 1_555 . 103_554 N
K1 O2 Mn1 93.9814(10) 1_555 . 103_555 N
K1 O2 W 114.23370(10) 1_555 . 1_555 N
K1 O2 W 143.72960(20) 1_555 . 103_554 N
K1 O2 W 93.9814(10) 1_555 . 103_555 N
Mn1 O2 Mn1 98.54570(10) 1_555 . 103_554 N
Mn1 O2 Mn1 98.54570(10) 1_555 . 103_555 N
Mn1 O2 W 0.0 1_555 . 1_555 N
Mn1 O2 W 98.54570(10) 1_555 . 103_554 N
Mn1 O2 W 98.54570(10) 1_555 . 103_555 N
Mn1 O2 Mn1 96.1472(12) 103_554 . 103_555 N
Mn1 O2 W 98.54570(10) 103_554 . 1_555 N
Mn1 O2 W 0.0 103_554 . 103_554 N
Mn1 O2 W 96.1472(12) 103_554 . 103_555 N
Mn1 O2 W 98.54570(10) 103_555 . 1_555 N
Mn1 O2 W 96.1472(12) 103_555 . 103_554 N
Mn1 O2 W 0.0 103_555 . 103_555 N
W O2 W 98.54570(10) 1_555 . 103_554 N
W O2 W 98.54570(10) 1_555 . 103_555 N
W O2 W 96.1472(12) 103_554 . 103_555 N
K1 W O1 68.1176 101_554 . 1_555 N
K1 W O1 127.3173(5) 101_554 . 102_544 N
K1 W O1 127.3173(5) 101_554 . 102_545 N
K1 W O2 104.5629 101_554 . 1_555 N
K1 W O2 53.6193(5) 101_554 . 103_554 N
K1 W O2 53.6193(5) 101_554 . 103_555 N
O1 W O1 91.6614 1_555 . 102_544 N
O1 W O1 91.6614 1_555 . 102_545 N
O1 W O2 172.6805 1_555 . 1_555 N
O1 W O2 93.692 1_555 . 103_554 N
O1 W O2 93.692 1_555 . 103_555 N
O1 W O1 100.0717(12) 102_544 . 102_545 N
O1 W O2 93.0375 102_544 . 1_555 N
O1 W O2 81.6416(12) 102_544 . 103_554 N
O1 W O2 174.33350(10) 102_544 . 103_555 N
O1 W O2 93.0375 102_545 . 1_555 N
O1 W O2 174.33350(10) 102_545 . 103_554 N
O1 W O2 81.6416(12) 102_545 . 103_555 N
O2 W O2 81.45430(10) 1_555 . 103_554 N
O2 W O2 81.45430(10) 1_555 . 103_555 N
O2 W O2 96.1472(12) 103_554 . 103_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
K1 K1 2.85489(5) . 1_554 N
K1 K1 2.85489(5) . 1_556 N
K1 Mn1 4.07433(5) . 1_555 N
K1 Mn1 4.07433(5) . 1_556 N
K1 Mn1 4.07433(5) . 2_555 N
K1 Mn1 4.07433(5) . 2_556 N
K1 Mn1 4.07433(5) . 3_555 N
K1 Mn1 4.07433(5) . 3_556 N
K1 Mn1 4.07433(5) . 4_555 N
K1 Mn1 4.07433(5) . 4_556 N
K1 Mn1 3.57206(5) . 101_445 N
K1 Mn1 3.57206(5) . 102_545 N
K1 Mn1 3.57206(5) . 103_555 N
K1 Mn1 3.57206(5) . 104_455 N
K1 O1 3.36818(5) . 101_445 N
K1 O1 3.36818(5) . 102_545 N
K1 O1 3.36818(5) . 103_555 N
K1 O1 3.36818(5) . 104_455 N
K1 O2 2.882800(30) . 1_555 N
K1 O2 2.882800(30) . 1_556 N
K1 O2 2.882800(30) . 2_555 N
K1 O2 2.882800(30) . 2_556 N
K1 O2 2.882800(30) . 3_555 N
K1 O2 2.882800(30) . 3_556 N
K1 O2 2.882800(30) . 4_555 N
K1 O2 2.882800(30) . 4_556 N
K1 W 4.07433(5) . 1_555 N
K1 W 4.07433(5) . 1_556 N
K1 W 4.07433(5) . 2_555 N
K1 W 4.07433(5) . 2_556 N
K1 W 4.07433(5) . 3_555 N
K1 W 4.07433(5) . 3_556 N
K1 W 4.07433(5) . 4_555 N
K1 W 4.07433(5) . 4_556 N
K1 W 3.57206(5) . 101_445 N
K1 W 3.57206(5) . 102_545 N
K1 W 3.57206(5) . 103_555 N
K1 W 3.57206(5) . 104_455 N
Mn1 K1 4.07433(5) . 1_554 N
Mn1 K1 4.07433(5) . 1_555 N
Mn1 K1 3.57206(5) . 101_554 N
Mn1 Mn1 2.85489(5) . 1_554 N
Mn1 Mn1 2.85489(5) . 1_556 N
Mn1 Mn1 2.916240(30) . 103_554 N
Mn1 Mn1 2.916240(30) . 103_555 N
Mn1 O1 1.929160(30) . 1_555 N
Mn1 O1 1.862420(20) . 102_544 N
Mn1 O1 1.862420(20) . 102_545 N
Mn1 O2 1.929560(30) . 1_555 N
Mn1 O2 1.918600(20) . 103_554 N
Mn1 O2 1.918600(20) . 103_555 N
Mn1 W 2.85489(5) . 1_554 N
Mn1 W 2.85489(5) . 1_556 N
Mn1 W 2.916240(30) . 103_554 N
Mn1 W 2.916240(30) . 103_555 N
O1 K1 3.36818(5) . 101_554 N
O1 Mn1 1.929160(30) . 1_555 N
O1 Mn1 1.862420(20) . 104_554 N
O1 Mn1 1.862420(20) . 104_555 N
O1 W 1.929160(30) . 1_555 N
O1 W 1.862420(20) . 104_554 N
O1 W 1.862420(20) . 104_555 N
O2 K1 2.882800(30) . 1_554 N
O2 K1 2.882800(30) . 1_555 N
O2 Mn1 1.929560(30) . 1_555 N
O2 Mn1 1.918600(20) . 103_554 N
O2 Mn1 1.918600(20) . 103_555 N
O2 W 1.929560(30) . 1_555 N
O2 W 1.918600(20) . 103_554 N
O2 W 1.918600(20) . 103_555 N
W K1 4.07433(5) . 1_554 N
W K1 4.07433(5) . 1_555 N
W K1 3.57206(5) . 101_554 N
W Mn1 2.85489(5) . 1_554 N
W Mn1 2.85489(5) . 1_556 N
W Mn1 2.916240(30) . 103_554 N
W Mn1 2.916240(30) . 103_555 N
W O1 1.929160(30) . 1_555 N
W O1 1.862420(20) . 102_544 N
W O1 1.862420(20) . 102_545 N
W O2 1.929560(30) . 1_555 N
W O2 1.918600(20) . 103_554 N
W O2 1.918600(20) . 103_555 N
W W 2.85489(5) . 1_554 N
W W 2.85489(5) . 1_556 N
W W 2.916240(30) . 103_554 N
W W 2.916240(30) . 103_555 N
loop_
_pd_meas_counts_total
_pd_proc_ls_weight
_pd_proc_intensity_bkg_calc
_pd_calc_intensity_total
8788.0 0.0 22645.42969 .
8997.0 0.0 22609.10547 .
8857.0 0.0 22572.83203 .
8868.0 0.0 22536.60938 .
8691.0 0.0 22500.42773 .
8805.0 0.0 22464.29688 .
8692.0 0.0 22428.20898 .
8690.0 0.0 22392.17188 .
8631.0 0.0 22356.17969 .
8515.0 0.0 22320.23438 .
8448.0 0.0 22284.34180 .
8498.0 0.0 22248.48633 .
8558.0 0.0 22212.68555 .
8317.0 0.0 22176.92969 .
8190.0 0.0 22141.21680 .
8242.0 0.0 22105.55273 .
8182.0 0.0 22069.93555 .
8194.0 0.0 22034.36914 .
8180.0 0.0 21998.84375 .
8126.0 0.0 21963.36719 .
8144.0 0.0 21927.93750 .
8070.0 0.0 21892.55469 .
8056.0 0.0 21857.21680 .
8016.0 0.0 21821.92578 .
7976.0 0.0 21786.67969 .
7922.0 0.0 21751.47852 .
7869.0 0.0 21716.32617 .
7924.0 0.0 21681.22070 .
7868.0 0.0 21646.15820 .
7859.0 0.0 21611.14648 .
7763.0 0.0 21576.17578 .
7534.0 0.0 21541.25586 .
7639.0 0.0 21506.37891 .
7739.0 0.0 21471.54688 .
7758.0 0.0 21436.76367 .
7610.0 0.0 21402.02148 .
7748.0 0.0 21367.32813 .
7675.0 0.0 21332.68164 .
7645.0 0.0 21298.08008 .
7575.0 0.0 21263.52539 .
7697.0 0.0 21229.01367 .
7359.0 0.0 21194.54688 .
7371.0 0.0 21160.12695 .
7271.0 0.0 21125.75391 .
7406.0 0.0 21091.42383 .
7127.0 0.0 21057.14063 .
7232.0 0.0 21022.90430 .
7095.0 0.0 20988.70898 .
7196.0 0.0 20954.56250 .
7365.0 0.0 20920.45703 .
7267.0 0.0 20886.40039 .
7164.0 0.0 20852.38867 .
7139.0 0.0 20818.42188 .
6902.0 0.0 20784.49805 .
7129.0 0.0 20750.62109 .
7190.0 0.0 20716.78906 .
7005.0 0.0 20683.00195 .
6934.0 0.0 20649.25781 .
6767.0 0.0 20615.56055 .
6934.0 0.0 20581.90625 .
6966.0 0.0 20548.29688 .
6900.0 0.0 20514.73242 .
6813.0 0.0 20481.21484 .
6931.0 0.0 20447.73633 .
6803.0 0.0 20414.30664 .
6690.0 0.0 20380.92383 .
6816.0 0.0 20347.58008 .
6706.0 0.0 20314.28125 .
6661.0 0.0 20281.02930 .
6599.0 0.0 20247.81836 .
6588.0 0.0 20214.65430 .
6709.0 0.0 20181.53516 .
6604.0 0.0 20148.45703 .
6525.0 0.0 20115.42578 .
6551.0 0.0 20082.43750 .
6475.0 0.0 20049.49609 .
6602.0 0.0 20016.59570 .
6593.0 0.0 19983.74023 .
6558.0 0.0 19950.92773 .
6349.0 0.0 19918.15820 .
6545.0 0.0 19885.43555 .
6492.0 0.0 19852.75391 .
6326.0 0.0 19820.11719 .
6256.0 0.0 19787.52148 .
6330.0 0.0 19754.97461 .
6342.0 0.0 19722.46875 .
6235.0 0.0 19690.00391 .
6370.0 0.0 19657.58594 .
6210.0 0.0 19625.20898 .
6163.0 0.0 19592.87695 .
6304.0 0.0 19560.58789 .
6110.0 0.0 19528.34375 .
6181.0 0.0 19496.14063 .
6275.0 0.0 19463.98242 .
6072.0 0.0 19431.86523 .
6230.0 0.0 19399.79297 .
6245.0 0.0 19367.76367 .
6061.0 0.0 19335.77344 .
6019.0 0.0 19303.83398 .
5897.0 0.0 19271.93164 .
5917.0 0.0 19240.07617 .
5918.0 0.0 19208.25977 .
5935.0 0.0 19176.48828 .
5959.0 0.0 19144.76172 .
5904.0 0.0 19113.07422 .
5824.0 0.0 19081.43164 .
6003.0 0.0 19049.83008 .
5923.0 0.0 19018.27148 .
5938.0 0.0 18986.75781 .
5886.0 0.0 18955.28320 .
5866.0 0.0 18923.85352 .
5792.0 0.0 18892.46680 .
5723.0 0.0 18861.11914 .
5815.0 0.0 18829.81445 .
5833.0 0.0 18798.55664 .
5677.0 0.0 18767.33594 .
5774.0 0.0 18736.16016 .
5680.0 0.0 18705.02734 .
5631.0 0.0 18673.93359 .
5609.0 0.0 18642.88477 .
5600.0 0.0 18611.87695 .
5603.0 0.0 18580.91211 .
5697.0 0.0 18549.98828 .
5627.0 0.0 18519.10547 .
5551.0 0.0 18488.26563 .
5474.0 0.0 18457.46680 .
5640.0 0.0 18426.71094 .
5677.0 0.0 18395.99805 .
5552.0 0.0 18365.32617 .
5469.0 0.0 18334.69531 .
5475.0 0.0 18304.10547 .
5338.0 0.0 18273.55859 .
5601.0 0.0 18243.05273 .
5492.0 0.0 18212.58789 .
5571.0 0.0 18182.16406 .
5463.0 0.0 18151.78320 .
5504.0 0.0 18121.44336 .
5558.0 0.0 18091.14453 .
5476.0 0.0 18060.88672 .
5384.0 0.0 18030.67188 .
5350.0 0.0 18000.49609 .
5448.0 0.0 17970.36328 .
5327.0 0.0 17940.26758 .
5390.0 0.0 17910.21680 .
5520.0 0.0 17880.20898 .
5340.0 0.0 17850.23828 .
5358.0 0.0 17820.31055 .
5303.0 0.0 17790.42383 .
5384.0 0.0 17760.57813 .
5398.0 0.0 17730.77148 .
5227.0 0.0 17701.00781 .
5226.0 0.0 17671.28320 .
5310.0 0.0 17641.60156 .
5347.0 0.0 17611.95703 .
5077.0 0.0 17582.35547 .
5161.0 0.0 17552.79297 .
5177.0 0.0 17523.27539 .
5191.0 0.0 17493.79297 .
5141.0 0.0 17464.35547 .
5109.0 0.0 17434.95508 .
5155.0 0.0 17405.59766 .
5152.0 0.0 17376.27930 .
5007.0 0.0 17347.00000 .
5074.0 0.0 17317.76172 .
4959.0 0.0 17288.56641 .
5047.0 0.0 17259.40820 .
5083.0 0.0 17230.29297 .
5085.0 0.0 17201.21484 .
5099.0 0.0 17172.17773 .
4909.0 0.0 17143.18359 .
4964.0 0.0 17114.22461 .
5014.0 0.0 17085.30664 .
5088.0 0.0 17056.43164 .
4882.0 0.0 17027.59375 .
4792.0 0.0 16998.79688 .
5051.0 0.0 16970.03906 .
5010.0 0.0 16941.32227 .
4878.0 0.0 16912.64648 .
4894.0 0.0 16884.00391 .
4884.0 0.0 16855.40820 .
4940.0 0.0 16826.84961 .
4981.0 0.0 16798.32813 .
4815.0 0.0 16769.84766 .
4902.0 0.0 16741.40820 .
4897.0 0.0 16713.00781 .
4849.0 0.0 16684.64648 .
4862.0 0.0 16656.32617 .
4897.0 0.0 16628.04102 .
4900.0 0.0 16599.79688 .
4874.0 0.0 16571.59375 .
4809.0 0.0 16543.42773 .
4823.0 0.0 16515.30273 .
4794.0 0.0 16487.21680 .
4823.0 0.0 16459.16797 .
4740.0 0.0 16431.15820 .
4831.0 0.0 16403.18750 .
4795.0 0.0 16375.25977 .
4634.0 0.0 16347.36621 .
4596.0 0.0 16319.51172 .
4760.0 0.0 16291.69727 .
4718.0 0.0 16263.92285 .
4781.0 0.0 16236.18652 .
4702.0 0.0 16208.48730 .
4824.0 0.0 16180.82910 .
4615.0 0.0 16153.20801 .
4712.0 0.0 16125.62500 .
4705.0 0.0 16098.08301 .
4636.0 0.0 16070.57520 .
4636.0 0.0 16043.11035 .
4559.0 0.0 16015.68164 .
4648.0 0.0 15988.29199 .
4521.0 0.0 15960.94043 .
4634.0 0.0 15933.62891 .
4628.0 0.0 15906.35352 .
4584.0 0.0 15879.11621 .
4508.0 0.0 15851.91797 .
4551.0 0.0 15824.75781 .
4574.0 0.0 15797.63574 .
4530.0 0.0 15770.55176 .
4594.0 0.0 15743.50391 .
4532.0 0.0 15716.49707 .
4577.0 0.0 15689.52734 .
4510.0 0.0 15662.59570 .
4501.0 0.0 15635.69922 .
4525.0 0.0 15608.84473 .
4550.0 0.0 15582.02441 .
4518.0 0.0 15555.24316 .
4427.0 0.0 15528.50098 .
4381.0 0.0 15501.79395 .
4511.0 0.0 15475.12793 .
4333.0 0.0 15448.49609 .
4432.0 0.0 15421.90527 .
4389.0 0.0 15395.34961 .
4443.0 0.0 15368.83105 .
4382.0 0.0 15342.34961 .
4434.0 0.0 15315.90723 .
4398.0 0.0 15289.50098 .
4435.0 0.0 15263.13379 .
4345.0 0.0 15236.80273 .
4262.0 0.0 15210.50879 .
4446.0 0.0 15184.25098 .
4390.0 0.0 15158.03320 .
4385.0 0.0 15131.85156 .
4431.0 0.0 15105.70703 .
4198.0 0.0 15079.59766 .
4352.0 0.0 15053.52637 .
4272.0 0.0 15027.49121 .
4234.0 0.0 15001.49512 .
4426.0 0.0 14975.53516 .
4333.0 0.0 14949.61133 .
4249.0 0.0 14923.72559 .
4252.0 0.0 14897.87402 .
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4186.0 0.0 14846.28516 .
4407.0 0.0 14820.54590 .
4258.0 0.0 14794.84180 .
4303.0 0.0 14769.17676 .
4222.0 0.0 14743.54590 .
4292.0 0.0 14717.95313 .
4316.0 0.0 14692.39453 .
4335.0 0.0 14666.87598 .
4257.0 0.0 14641.39063 .
4281.0 0.0 14615.94531 .
4193.0 0.0 14590.53125 .
4245.0 0.0 14565.15625 .
4229.0 0.0 14539.81738 .
4178.0 0.0 14514.51465 .
4249.0 0.0 14489.24707 .
4137.0 0.0 14464.01758 .
4199.0 0.0 14438.82324 .
4334.0 0.0 14413.66504 .
4115.0 0.0 14388.54102 .
4221.0 0.0 14363.45703 .
4111.0 0.0 14338.40332 .
4048.0 0.0 14313.39063 .
4157.0 0.0 14288.41113 .
4201.0 0.0 14263.46875 .
4136.0 0.0 14238.56250 .
4207.0 0.0 14213.69043 .
4013.0 0.0 14188.85547 .
4145.0 0.0 14164.05371 .
4138.0 0.0 14139.28809 .
4028.0 0.0 14114.56152 .
4122.0 0.0 14089.86816 .
4203.0 0.0 14065.20996 .
4075.0 0.0 14040.58789 .
3936.0 0.0 14016.00098 .
4103.0 0.0 13991.45117 .
4059.0 0.0 13966.93359 .
4086.0 0.0 13942.45313 .
4000.0 0.0 13918.00684 .
4140.0 0.0 13893.59668 .
3993.0 0.0 13869.22168 .
4046.0 0.0 13844.88184 .
4020.0 0.0 13820.57715 .
4040.0 0.0 13796.30762 .
4141.0 0.0 13772.07324 .
3943.0 0.0 13747.87598 .
4008.0 0.0 13723.70898 .
3898.0 0.0 13699.58008 .
3953.0 0.0 13675.48438 .
3882.0 0.0 13651.42383 .
3981.0 0.0 13627.39941 .
4060.0 0.0 13603.41016 .
3928.0 0.0 13579.45508 .
3904.0 0.0 13555.53320 .
3922.0 0.0 13531.64844 .
3896.0 0.0 13507.79590 .
3962.0 0.0 13483.97949 .
4021.0 0.0 13460.19629 .
3973.0 0.0 13436.45020 .
3875.0 0.0 13412.73633 .
3999.0 0.0 13389.05762 .
3993.0 0.0 13365.41406 .
4015.0 0.0 13341.80371 .
3888.0 0.0 13318.22852 .
3844.0 0.0 13294.68750 .
3885.0 0.0 13271.17969 .
3913.0 0.0 13247.70801 .
3888.0 0.0 13224.26855 .
3897.0 0.0 13200.86523 .
4008.0 0.0 13177.49512 .
3931.0 0.0 13154.16016 .
3881.0 0.0 13130.85645 .
3872.0 0.0 13107.58984 .
3873.0 0.0 13084.35449 .
4012.0 0.0 13061.15332 .
3940.0 0.0 13037.98828 .
3967.0 0.0 13014.85742 .
3847.0 0.0 12991.75781 .
3832.0 0.0 12968.69336 .
3822.0 0.0 12945.66211 .
3851.0 0.0 12922.66406 .
3802.0 0.0 12899.70215 .
3888.0 0.0 12876.77148 .
3874.0 0.0 12853.87695 .
3868.0 0.0 12831.01367 .
3739.0 0.0 12808.18457 .
3753.0 0.0 12785.38770 .
3851.0 0.0 12762.62695 .
3823.0 0.0 12739.89844 .
3901.0 0.0 12717.20410 .
3924.0 0.0 12694.54102 .
3739.0 0.0 12671.91406 .
3750.0 0.0 12649.31641 .
3889.0 0.0 12626.75488 .
3846.0 0.0 12604.22559 .
3804.0 0.0 12581.73047 .
3899.0 0.0 12559.26758 .
3948.0 0.0 12536.83984 .
3838.0 0.0 12514.44336 .
3820.0 0.0 12492.07910 .
3789.0 0.0 12469.74902 .
3971.0 0.0 12447.45117 .
3946.0 0.0 12425.18652 .
3927.0 0.0 12402.95410 .
4001.0 0.0 12380.75586 .
3930.0 0.0 12358.59082 .
3887.0 0.0 12336.45898 .
3961.0 0.0 12314.35840 .
3869.0 0.0 12292.29004 .
3801.0 0.0 12270.25391 .
3976.0 0.0 12248.25488 .
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3973.0 0.0 12204.34473 .
3943.0 0.0 12182.44141 .
3942.0 0.0 12160.56934 .
4069.0 0.0 12138.72949 .
4046.0 0.0 12116.92285 .
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4448.0 0.0 11986.75781 .
4618.0 0.0 11965.17773 .
4825.0 0.0 11943.62793 .
4889.0 0.0 11922.11035 .
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6663.0 0.0 11815.00586 .
6968.0 0.0 11793.68164 .
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7982.0 0.0 11751.12695 .
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8388.0 0.0 11708.69922 .
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7976.0 0.0 11666.40039 .
7811.0 0.0 11645.29590 .
7337.0 0.0 11624.22363 .
6661.0 0.0 11603.18457 .
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5225.0 0.0 11540.25586 .
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4477.0 0.0 11477.60840 .
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4056.0 0.0 11415.24316 .
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4032.0 0.0 11373.82227 .
3969.0 0.0 11353.15918 .
3847.0 0.0 11332.52637 .
4005.0 0.0 11311.92676 .
3880.0 0.0 11291.35547 .
3888.0 0.0 11270.81738 .
3923.0 0.0 11250.30762 .
3844.0 0.0 11229.83105 .
3726.0 0.0 11209.38281 .
3766.0 0.0 11188.96875 .
3788.0 0.0 11168.58496 .
3607.0 0.0 11148.23145 .
3631.0 0.0 11127.90723 .
3724.0 0.0 11107.61621 .
3709.0 0.0 11087.35254 .
3723.0 0.0 11067.12402 .
3743.0 0.0 11046.92188 .
3591.0 0.0 11026.75293 .
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1572.0 0.000636 1559.05627 1588.07874
1470.0 0.000680 1555.76489 1591.87085
1580.0 0.000633 1552.48157 1598.37329
1632.0 0.000613 1549.20630 1608.46521
1556.0 0.000643 1545.93909 1622.99695
1560.0 0.000641 1542.67944 1642.51379
1573.0 0.000636 1539.42810 1666.70056
1557.0 0.000642 1536.18445 1693.39954
1603.0 0.000624 1532.94946 1717.69360
1641.0 0.000609 1529.72168 1733.15100
1672.0 0.000598 1526.50183 1736.19202
1663.0 0.000601 1523.28992 1728.33167
1604.0 0.000623 1520.08582 1712.84937
1679.0 0.000596 1516.88940 1691.61316
1681.0 0.000595 1513.70093 1665.82727
1532.0 0.000653 1510.52014 1637.75903
1510.0 0.000662 1507.34790 1610.27271
1574.0 0.000635 1504.18274 1585.54138
1552.0 0.000644 1501.02527 1564.60217
1542.0 0.000649 1497.87585 1547.52869
1460.0 0.000685 1494.73389 1533.84387
1447.0 0.000691 1491.59973 1522.87830
1492.0 0.000670 1488.47314 1513.97266
1499.0 0.000667 1485.35449 1506.56628
1481.0 0.000675 1482.24402 1500.22449
1437.0 0.000696 1479.14038 1494.62927
1446.0 0.000692 1476.04468 1489.56287
1517.0 0.000659 1472.95654 1484.87817
1469.0 0.000681 1469.87610 1480.47803
1411.0 0.000709 1466.80298 1476.29724
1519.0 0.000658 1463.73779 1472.29065
1430.0 0.000699 1460.67993 1468.42468
1489.0 0.000672 1457.63000 1464.67590
1435.0 0.000697 1454.58752 1461.02539
1464.0 0.000683 1451.55273 1457.45715
1393.0 0.000718 1448.52490 1453.96008
1391.0 0.000719 1445.50500 1450.52417
1466.0 0.000682 1442.49243 1447.14160
1516.0 0.000660 1439.48730 1443.80579
1468.0 0.000681 1436.48975 1440.51196
1404.0 0.000712 1433.49963 1437.25488
1344.0 0.000744 1430.51746 1434.03125
1451.0 0.000689 1427.54211 1430.83728
1415.0 0.000707 1424.57422 1427.67053
1372.0 0.000729 1421.61365 1424.52844
1398.0 0.000715 1418.66077 1421.40979
1409.0 0.000710 1415.71497 1418.31177
1404.0 0.000712 1412.77661 1415.23352
1467.0 0.000682 1409.84558 1412.17371
1418.0 0.000705 1406.92249 1409.13171
1457.0 0.000686 1404.00623 1406.10535
1380.0 0.000725 1401.09705 1403.09424
1376.0 0.000727 1398.19519 1400.09790
1343.0 0.000745 1395.30066 1397.11499
1379.0 0.000725 1392.41357 1394.14587
1351.0 0.000740 1389.53333 1391.18909
1399.0 0.000715 1386.66077 1388.24487
1415.0 0.000707 1383.79504 1385.31201
1376.0 0.000727 1380.93750 1382.39124
1423.0 0.000703 1378.08618 1379.48096
1353.0 0.000739 1375.24231 1376.58179
1375.0 0.000727 1372.40552 1373.69275
1348.0 0.000742 1369.57605 1370.81372
1385.0 0.000722 1366.75330 1367.94470
1303.0 0.000767 1363.93811 1365.08557
1331.0 0.000751 1361.12976 1362.23572
1441.0 0.000694 1358.32898 1358.72510
1325.0 0.000755 1355.53528 1355.91675
1385.0 0.000722 1352.74805 1353.11621
1311.0 0.000763 1349.96838 1350.32349
1350.0 0.000741 1347.19543 1347.20215
1414.0 0.000707 1344.42957 1344.43652
1325.0 0.000755 1341.67078 1341.67749
1324.0 0.000755 1338.91895 1338.92566
1275.0 0.000784 1336.17480 1336.18140
1355.0 0.000738 1333.43677 1333.44336
1332.0 0.000751 1330.70593 1330.71265
1342.0 0.000745 1327.98218 1327.98889
1364.0 0.000733 1325.26514 1325.27173
1334.0 0.000750 1322.55493 1322.56152
1379.0 0.000725 1319.85193 1319.85852
1397.0 0.000716 1317.15576 1317.16235
1318.0 0.000759 1314.46655 1314.47290
1254.0 0.000797 1311.78467 1311.79102
1321.0 0.000757 1309.10889 1309.11536
1309.0 0.000764 1306.44019 1306.44666
1295.0 0.000772 1303.77832 1303.78455
1252.0 0.000799 1301.12329 1301.12952
1299.0 0.000770 1298.47498 1298.48120
1257.0 0.000796 1295.83350 1295.83972
1292.0 0.000774 1293.19885 1293.20483
1312.0 0.000762 1290.57141 1290.57764
1271.0 0.000787 1287.95020 1295.98950
1285.0 0.000778 1285.33582 1293.51660
1257.0 0.000796 1282.72815 1291.05396
1309.0 0.000764 1280.12720 1288.60229
1249.0 0.000801 1277.53284 1286.16125
1258.0 0.000795 1274.94519 1287.76355
1301.0 0.000769 1272.36438 1285.41541
1284.0 0.000779 1269.79065 1283.08105
1306.0 0.000766 1267.22314 1280.75964
1263.0 0.000792 1264.66223 1278.45154
1268.0 0.000789 1262.10803 1276.15735
1218.0 0.000821 1259.56018 1273.87732
1322.0 0.000756 1257.01929 1271.61133
1265.0 0.000791 1254.48474 1269.35999
1214.0 0.000824 1251.95703 1267.12354
1301.0 0.000769 1249.43555 1264.90222
1311.0 0.000763 1246.92114 1262.69714
1227.0 0.000815 1244.41296 1260.50745
1255.0 0.000797 1241.91125 1258.33386
1270.0 0.000787 1239.41626 1256.17725
1215.0 0.000823 1236.92737 1254.03723
1258.0 0.000795 1234.44531 1251.91504
1246.0 0.000803 1231.96960 1249.81055
1243.0 0.000805 1229.50037 1247.72449
1266.0 0.000790 1227.03784 1245.65796
1307.0 0.000765 1224.58154 1243.61047
1288.0 0.000776 1222.13159 1241.58276
1259.0 0.000794 1219.68811 1239.57593
1251.0 0.000799 1217.25098 1237.59009
1274.0 0.000785 1214.82031 1235.62622
1246.0 0.000803 1212.39587 1233.68530
1232.0 0.000812 1209.97791 1231.76746
1220.0 0.000820 1207.56665 1229.87427
1227.0 0.000815 1205.16138 1228.00537
1264.0 0.000791 1202.76245 1226.16272
1229.0 0.000814 1200.36963 1224.34656
1252.0 0.000799 1197.98340 1222.55872
1308.0 0.000765 1195.60315 1220.79932
1230.0 0.000813 1193.22961 1219.07031
1231.0 0.000812 1190.86194 1217.37219
1257.0 0.000796 1188.50073 1215.70703
1176.0 0.000850 1186.14624 1214.07629
1239.0 0.000807 1183.79724 1212.48022
1226.0 0.000816 1181.45483 1210.92126
1253.0 0.000798 1179.11829 1209.40088
1244.0 0.000804 1176.78809 1207.92102
1241.0 0.000806 1174.46387 1206.48352
1229.0 0.000814 1172.14624 1205.09070
1297.0 0.000771 1169.83447 1203.74438
1253.0 0.000798 1167.52930 1202.44751
1254.0 0.000797 1165.22974 1201.20190
1235.0 0.000810 1162.93652 1200.01074
1208.0 0.000828 1160.64941 1198.87671
1278.0 0.000782 1158.36841 1197.80359
1243.0 0.000805 1156.09326 1196.79443
1239.0 0.000807 1153.82410 1195.85278
1211.0 0.000826 1151.56140 1194.98315
1252.0 0.000799 1149.30493 1194.18994
1220.0 0.000820 1147.05408 1193.47742
1207.0 0.000829 1144.80933 1192.85095
1169.0 0.000855 1142.57043 1192.31616
1236.0 0.000809 1140.33777 1191.87903
1245.0 0.000803 1138.11072 1191.54663
1256.0 0.000796 1135.88965 1191.32593
1259.0 0.000794 1133.67517 1191.22485
1232.0 0.000812 1131.46606 1191.25220
1248.0 0.000801 1129.26355 1191.41821
1222.0 0.000818 1127.06628 1191.73230
1306.0 0.000766 1124.87524 1192.20654
1186.0 0.000843 1122.68994 1192.85364
1243.0 0.000805 1120.51038 1193.68774
1270.0 0.000787 1118.33704 1194.72461
1304.0 0.000767 1116.16931 1195.98145
1311.0 0.000763 1114.00769 1197.47778
1273.0 0.000786 1111.85181 1199.23511
1334.0 0.000750 1109.70190 1201.27710
1331.0 0.000751 1107.55750 1203.63074
1373.0 0.000728 1105.41907 1206.32617
1321.0 0.000757 1103.28650 1209.39722
1316.0 0.000760 1101.15955 1212.88220
1409.0 0.000710 1099.03833 1216.82434
1333.0 0.000750 1096.92285 1221.27258
1368.0 0.000731 1094.81360 1226.28296
1400.0 0.000714 1092.70959 1231.91895
1345.0 0.000743 1090.61145 1238.25354
1441.0 0.000694 1088.51892 1245.37109
1420.0 0.000704 1086.43237 1253.36938
1412.0 0.000708 1084.35107 1262.36218
1406.0 0.000711 1082.27576 1272.48328
1378.0 0.000726 1080.20618 1283.89099
1448.0 0.000691 1078.14209 1296.77405
1411.0 0.000709 1076.08398 1311.36023
1435.0 0.000697 1074.03101 1327.92444
1437.0 0.000696 1071.98389 1370.16980
1540.0 0.000649 1069.94238 1392.45691
1524.0 0.000656 1067.90625 1418.00525
1551.0 0.000645 1065.87585 1447.43579
1542.0 0.000649 1063.85120 1481.50403
1593.0 0.000628 1061.83167 1532.84827
1733.0 0.000577 1059.81836 1579.46143
1765.0 0.000567 1057.81030 1634.03247
1753.0 0.000570 1055.80750 1698.06824
1821.0 0.000549 1053.81042 1773.28918
1911.0 0.000523 1051.81860 1861.60938
2042.0 0.000490 1049.83276 1965.08936
2199.0 0.000455 1047.85193 2085.83203
2248.0 0.000445 1045.87671 2251.00269
2329.0 0.000429 1043.90723 2412.52246
2618.0 0.000382 1041.94312 2595.09937
2870.0 0.0003484 1039.98413 2797.09839
3002.0 0.0003331 1038.03076 3013.70654
3173.0 0.0003152 1036.08264 3248.40796
3344.0 0.0002990 1034.14014 3462.26733
3630.0 0.0002755 1032.20288 3649.81445
3820.0 0.0002618 1030.27112 3793.16919
3889.0 0.0002571 1028.34448 3878.96729
4053.0 0.0002467 1026.42383 3901.67822
4054.0 0.0002467 1024.50818 3863.54810
3941.0 0.0002537 1022.59760 3771.88818
3884.0 0.0002575 1020.69250 3636.32129
3719.0 0.0002689 1018.79272 3467.59009
3458.0 0.0002892 1016.89819 3277.34985
3288.0 0.0003041 1015.00891 3077.58154
3170.0 0.0003155 1013.12500 2879.29785
2759.0 0.000362 1011.24677 2691.21997
2520.0 0.000397 1009.37335 2519.13818
2419.0 0.000413 1007.50519 2366.06299
2288.0 0.000437 1005.64215 2232.84912
2132.0 0.000469 1003.78455 2118.93604
2043.0 0.000489 1001.93201 2022.96741
1850.0 0.000541 1000.08484 1943.23633
1940.0 0.000515 998.24255 1877.96265
1824.0 0.000548 996.40613 1829.90125
1736.0 0.000576 994.57416 1788.74255
1778.0 0.000562 992.74786 1757.54724
1817.0 0.000550 990.92621 1735.25354
1741.0 0.000574 989.11011 1721.03418
1741.0 0.000574 987.29871 1716.50781
1741.0 0.000574 985.49268 1716.90356
1822.0 0.000549 983.69165 1724.23035
1783.0 0.000561 981.89587 1738.53479
1793.0 0.000558 980.10553 1760.08203
1868.0 0.000535 978.31976 1789.37012
1934.0 0.000517 976.53894 1827.16492
2004.0 0.000499 974.76337 1874.55493
2039.0 0.000490 972.99274 1933.04626
2083.0 0.000480 971.22729 2004.72241
2259.0 0.000443 969.46680 2092.50708
2403.0 0.000416 967.71124 2200.58667
2487.0 0.000402 965.96094 2335.06909
2673.0 0.000374 964.21558 2504.93311
3007.0 0.0003326 962.47485 2723.27710
3212.0 0.0003113 960.73938 3008.74121
3550.0 0.0002817 959.00867 3386.75391
4053.0 0.0002467 957.28302 3890.03882
4759.0 0.0002101 955.56226 4557.61084
5529.0 0.0001809 953.84631 5431.42383
6706.0 0.0001491 952.13562 6549.57080
7872.0 0.0001270 950.42963 7933.81543
9316.0 0.0001073 948.72845 9566.69336
11099.0 0.0000901 947.03217 11353.04395
12682.0 0.0000789 945.34064 13078.25098
14070.0 0.0000711 943.65436 14426.06445
14903.0 0.0000671 941.97247 15128.59473
14935.0 0.0000670 940.29565 15146.75781
14882.0 0.0000672 938.62354 14649.97754
14168.0 0.0000706 936.95667 13824.45508
12966.0 0.0000771 935.29431 12750.11621
11439.0 0.0000874 933.63660 11449.33984
9823.0 0.0001018 931.98370 9994.21289
8290.0 0.0001206 930.33557 8518.11816
7125.0 0.0001404 928.69226 7150.13867
5814.0 0.0001720 927.05377 5968.09961
4638.0 0.0002156 925.41998 4995.74414
3869.0 0.0002585 923.79120 4221.67285
3177.0 0.0003148 922.16681 3618.20898
2707.0 0.000369 920.54736 3153.19873
2441.0 0.000410 918.93213 2796.04858
2247.0 0.000445 917.32190 2520.45190
2032.0 0.000492 915.71637 2305.29688
1879.0 0.000532 914.11548 2134.51611
1739.0 0.000575 912.51917 1996.36926
1710.0 0.000585 910.92780 1882.51807
1625.0 0.000615 909.34094 1787.11426
1550.0 0.000645 907.75848 1706.05225
1435.0 0.000697 906.18079 1636.40295
1350.0 0.000741 904.60773 1576.02539
1331.0 0.000751 903.03925 1523.31042
1348.0 0.000742 901.47528 1477.01501
1362.0 0.000734 899.91595 1436.15869
1322.0 0.000756 898.36108 1399.95264
1245.0 0.000803 896.81116 1367.75732
1218.0 0.000821 895.26556 1339.04626
1245.0 0.000803 893.72449 1313.38562
1194.0 0.000838 892.18781 1290.41541
1189.0 0.000841 890.65576 1269.83728
1205.0 0.000830 889.12793 1251.40186
1247.0 0.000802 887.60510 1234.90295
1081.0 0.000925 886.08630 1220.16992
1204.0 0.000831 884.57257 1207.06384
1157.0 0.000864 883.06305 1195.47107
1086.0 0.000921 881.55756 1185.30457
1165.0 0.000858 880.05701 1176.49927
1145.0 0.000873 878.56055 1169.01123
1107.0 0.000903 877.06885 1162.81787
1098.0 0.000911 875.58118 1157.91931
1068.0 0.000936 874.09821 1154.33875
1082.0 0.000924 872.61981 1152.12622
1096.0 0.000912 871.14545 1152.41418
1098.0 0.000911 869.67560 1153.23511
1147.0 0.000872 868.20996 1155.78906
1108.0 0.000903 866.74890 1160.29688
1148.0 0.000871 865.29199 1167.04651
1160.0 0.000862 863.83942 1176.93103
1098.0 0.000911 862.39130 1189.38013
1118.0 0.000894 860.94751 1205.48291
1219.0 0.000820 859.50812 1225.93542
1286.0 0.000778 858.07294 1251.55798
1154.0 0.000867 856.64209 1283.29565
1281.0 0.000781 855.21533 1322.20154
1443.0 0.000693 853.79297 1369.40125
1362.0 0.000734 852.37482 1426.01917
1443.0 0.000693 850.96088 1493.04346
1544.0 0.000648 849.55127 1571.08362
1692.0 0.000591 848.14606 1659.96326
1786.0 0.000560 846.74493 1758.11304
1818.0 0.000550 845.34790 1861.81787
1935.0 0.000517 843.95508 1964.62793
2001.0 0.000500 842.56659 2057.55005
2244.0 0.000446 841.18213 2122.61279
2248.0 0.000445 839.80200 2168.00586
2188.0 0.000457 838.42584 2181.92676
2178.0 0.000459 837.05402 2165.54150
2219.0 0.000451 835.68640 2122.93091
2115.0 0.000473 834.32263 2032.59900
2050.0 0.000488 832.96301 1952.21912
1958.0 0.000511 831.60767 1859.56677
1821.0 0.000549 830.25629 1725.30042
1597.0 0.000626 828.90912 1625.33911
1573.0 0.000636 827.56604 1528.91260
1468.0 0.000681 826.22705 1439.53735
1343.0 0.000745 824.89227 1362.28137
1251.0 0.000799 823.56140 1291.63977
1212.0 0.000825 822.23450 1230.43347
1090.0 0.000917 820.91168 1177.92700
1100.0 0.000909 819.59296 1133.15308
1089.0 0.000918 818.27820 1095.08411
974.0 0.001027 816.96735 1064.30396
983.0 0.001017 815.66064 1036.79016
1037.0 0.000964 814.35797 1013.28833
948.0 0.001055 813.05927 993.11273
878.0 0.001139 811.76453 975.68579
919.0 0.001088 810.47369 960.52881
898.0 0.001114 809.18689 947.24945
942.0 0.001062 807.90387 935.52905
883.0 0.001133 806.62494 925.11047
863.0 0.001159 805.34979 915.78754
856.0 0.001168 804.07886 907.39386
875.0 0.001143 802.81152 899.79395
893.0 0.001120 801.54828 892.87866
843.0 0.001186 800.28888 886.55811
865.0 0.001156 799.03339 880.75763
859.0 0.001164 797.78156 875.41516
836.0 0.001196 796.53369 870.47852
879.0 0.001138 795.28973 865.90259
881.0 0.001135 794.04962 861.64978
872.0 0.001147 792.81354 857.68750
860.0 0.001163 791.58118 853.98657
829.0 0.001206 790.35242 850.52319
828.0 0.001208 789.12744 847.27588
823.0 0.001215 787.90649 844.22583
820.0 0.001220 786.68921 841.35724
875.0 0.001143 785.47583 838.65570
835.0 0.001198 784.26611 836.10864
779.0 0.001284 783.06042 833.70587
840.0 0.001190 781.85822 831.43750
831.0 0.001203 780.65967 829.29492
843.0 0.001186 779.46503 827.27161
812.0 0.001232 778.27423 825.36127
856.0 0.001168 777.08685 823.55853
834.0 0.001199 775.90338 821.85889
813.0 0.001230 774.72357 820.25848
865.0 0.001156 773.54755 818.75488
826.0 0.001211 772.37518 817.34503
839.0 0.001192 771.20642 816.02722
835.0 0.001198 770.04120 814.80023
791.0 0.001264 768.87976 813.66345
788.0 0.001269 767.72198 812.61670
792.0 0.001263 766.56781 811.66052
827.0 0.001209 765.41736 810.79578
812.0 0.001232 764.27039 810.02399
864.0 0.001157 763.12720 809.34735
851.0 0.001175 761.98761 808.76843
855.0 0.001170 760.85138 808.29065
829.0 0.001206 759.71899 807.91791
804.0 0.001244 758.59003 807.65527
860.0 0.001163 757.46460 807.50806
807.0 0.001239 756.34271 807.48291
895.0 0.001117 755.22443 807.58716
849.0 0.001178 754.10999 807.82965
792.0 0.001263 752.99878 808.21936
871.0 0.001148 751.89111 808.76794
836.0 0.001196 750.78699 809.48779
835.0 0.001198 749.68628 810.39349
845.0 0.001183 748.58911 811.50146
803.0 0.001245 747.49554 812.83038
861.0 0.001161 746.40527 814.40155
856.0 0.001168 745.31879 816.23999
844.0 0.001185 744.23560 818.37305
849.0 0.001178 743.15588 820.83423
863.0 0.001159 742.07965 823.66083
821.0 0.001218 741.00665 826.89679
869.0 0.001151 739.93726 830.59338
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476.0 . . .
