#------------------------------------------------------------------------------
#$Date: 2025-07-01 15:59:33 +0300 (Tue, 01 Jul 2025) $
#$Revision: 1334 $
#$URL: svn://crystallography.net/testcod/cif/4/30/00/4300031.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_4300031
loop_
_publ_author_name
'Fewox, Christopher S.'
'Clearfield, Abraham'
'Celestian, Aaron J.'
_publ_section_title
;
 In Situ X-ray Diffraction Study of Cesium Exchange in Synthetic Umbite
;
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3596
_journal_page_last               3604
_journal_paper_doi               10.1021/ic102546w
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'K0.84 O11.16 Si3 Zr'
_chemical_formula_weight         386.87
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             2007-07-27T13:15
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2007-07-27T13:15  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.526(8)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   7.28142(33)
_cell_length_b                   10.4201(4)
_cell_length_c                   13.4529(7)
_cell_volume                     1020.67(8)
_computing_structure_refinement  GSAS
_diffrn_radiation_polarisn_ratio 0.93
_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                     2007-07-27T13:15|G2|Chris_Fewox|bnl
_pd_calc_method                  'Rietveld Refinement'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.021
_pd_meas_2theta_range_max        34.198
_pd_meas_2theta_range_min        0.01
_pd_meas_number_of_points        1629
_pd_phase_name                   HKZrTS
_pd_proc_2theta_range_inc        0.021
_pd_proc_2theta_range_max        34.198
_pd_proc_2theta_range_min        0.01
_pd_proc_info_datetime           2007-07-27T13:15:12
_pd_proc_info_excluded_regions   ' ?'
_pd_proc_ls_background_function
;   GSAS Background function number 1 with 36 terms.
 Shifted Chebyshev function of 1st kind
      1:    480.608     2:    36.4732     3:   -137.355     4:   -36.9221    
      5:    54.5395     6:    32.3814     7:   -39.5444     8:   -51.8586    
      9:   -5.34415    10:    22.7032    11:   -1.13959    12:   -15.8932    
     13:   -6.34730    14:    19.4939    15:    29.4308    16:  -0.485393    
     17:   -4.78477    18:   0.401359    19:    11.3998    20:    12.2914    
     21:   -6.71559    22:   -9.19438    23:    1.70114    24:    11.1642    
     25:    7.50178    26:   0.478368    27:   0.974660    28:    6.99446    
     29:    2.73297    30:   -5.78025    31:   -3.30958    32:   -6.52521    
     33:    1.29513    34:  -0.388829    35:   -4.03759    36:   -2.22037    
;
_pd_proc_ls_peak_cutoff          0.01000
_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)   = 1386.230 #2(GV)   = -166.428 #3(GW)   =    7.613
 #4(GP)   =    9.651 #5(LX)   =    2.396 #6(LY)   =    0.000
 #7(S/L)  =   0.0005 #8(H/L)  =   0.0005
 #9(trns) =     0.72 #10(shft)=  -0.5579
 #11(stec)=     0.00 #12(ptec)=     0.00 #13(sfec)=     0.00
 #14(L11) =   -0.057 #15(L22) =   -0.234 #16(L33) =    0.005
 #17(L12) =   -0.052 #18(L13) =   -0.028 #19(L23) =   -0.104
 Peak tails are ignored  where the intensity is below 0.0100 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_prof_R_factor        0.0280
_pd_proc_ls_prof_wR_expected     0.0372
_pd_proc_ls_prof_wR_factor       0.0377
_pd_proc_number_of_points        1629
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   1.37
_refine_ls_matrix_type           full
_refine_ls_number_parameters     102
_refine_ls_number_restraints     37
_refine_ls_R_Fsqd_factor         0.07636
_refine_ls_shift/su_max          0.04
_refine_ls_shift/su_mean         0.01
_reflns_d_resolution_high        2.110
_reflns_d_resolution_low         8.238
_reflns_limit_h_max              3
_reflns_limit_h_min              0
_reflns_limit_k_max              4
_reflns_limit_k_min              0
_reflns_limit_l_max              6
_reflns_limit_l_min              -6
_reflns_number_total             226
_cod_data_source_file            ic102546w_si_001.cif
_cod_data_source_block           Wet_Umbite
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4300031
_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,+y+1/2,-z+1/2
-1 -x,-y,-z
-2 +x,-y+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
Zr ZR1 0.2488(11) 0.7039(4) 0.2028(4) 1.0 Uiso 0.02305 4
Si SI2 0.0601(14) 0.3980(9) 0.1708(8) 1.0 Uiso 0.008 4
Si SI3 0.7464(16) 0.2954(9) 0.0491(7) 1.0 Uiso 0.008 4
Si SI4 0.5324(14) 0.9159(10) 0.3272(7) 1.0 Uiso 0.008 4
O O5 0.245(4) 0.6833(12) 0.3626(9) 1.0 Uiso 0.004 4
O O6 0.0630(26) 0.5539(10) 0.2013(15) 1.0 Uiso 0.004 4
O O7 0.253(4) 0.7633(16) 0.0629(8) 1.0 Uiso 0.004 4
O O8 0.4210(22) 0.8457(14) 0.2333(10) 1.0 Uiso 0.004 4
O O9 0.0421(21) 0.8186(14) 0.2389(11) 1.0 Uiso 0.004 4
O O10 0.4510(26) 0.5726(10) 0.1935(15) 1.0 Uiso 0.004 4
O O11 0.2705(14) 0.3459(13) 0.1556(12) 1.0 Uiso 0.004 4
O O12 0.5597(17) 0.3837(14) 0.0659(9) 1.0 Uiso 0.004 4
O O13 0.9349(16) 0.3828(14) 0.0682(9) 1.0 Uiso 0.004 4
O Ow1 -0.169(5) 0.5590(26) 0.5533(21) 1.0 Uiso 0.14449 4
K K15 0.7486(30) 0.6843(11) 0.1024(8) 0.64 Uiso 0.04096 4
O Ow2 0.6057(34) 0.5429(25) 0.3901(14) 0.8 Uiso 0.15244 4
K K14 0.6057(34) 0.5429(25) 0.3901(14) 0.2 Uiso 0.15244 4
O Ow3 0.7486(30) 0.6843(11) 0.1024(8) 0.36 Uiso 0.04096 4
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
Zr 4.0 0.000 0.000 17.8765 1.27618 10.9480 11.9160 5.41732 0.11762 3.65721
87.6627 2.06929 International_Tables_Vol_C
Si 12.0 0.000 0.000 6.29150 2.43860 3.03530 32.3337 1.98910 0.67850 1.54100
81.6937 1.14070 International_Tables_Vol_C
O 44.64 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
K 3.36 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
loop_
_diffrn_radiation_wavelength
_diffrn_radiation_wavelength_wt
_diffrn_radiation_type
_diffrn_radiation_wavelength_id
0.922100 1.000 K\a~1~ 1
0.922100 1.000 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
O5 ZR1 O6 85.4(8) 1_555 . 1_555 N
O5 ZR1 O7 167.5(6) 1_555 . 1_555 N
O5 ZR1 O8 83.2(7) 1_555 . 1_555 N
O5 ZR1 O9 78.5(8) 1_555 . 1_555 N
O5 ZR1 O10 90.6(9) 1_555 . 1_555 N
O5 ZR1 K15 108.7(8) 1_555 . 1_455 N
O5 ZR1 K15 111.1(8) 1_555 . 1_555 N
O5 ZR1 K14 48.8(8) 1_555 . 1_555 N
O5 ZR1 K14 114.5(5) 1_555 . 2_655 N
O6 ZR1 O7 104.1(9) 1_555 . 1_555 N
O6 ZR1 O8 168.5(7) 1_555 . 1_555 N
O6 ZR1 O9 87.7(7) 1_555 . 1_555 N
O6 ZR1 O10 88.0(6) 1_555 . 1_555 N
O6 ZR1 K15 49.0(5) 1_555 . 1_455 N
O6 ZR1 K15 124.7(5) 1_555 . 1_555 N
O6 ZR1 K14 96.4(6) 1_555 . 1_555 N
O6 ZR1 K14 149.6(7) 1_555 . 2_655 N
O7 ZR1 O8 87.1(8) 1_555 . 1_555 N
O7 ZR1 O9 93.6(9) 1_555 . 1_555 N
O7 ZR1 O10 97.8(10) 1_555 . 1_555 N
O7 ZR1 K15 73.1(9) 1_555 . 1_455 N
O7 ZR1 K15 70.4(9) 1_555 . 1_555 N
O7 ZR1 K14 135.9(10) 1_555 . 1_555 N
O7 ZR1 K14 53.5(6) 1_555 . 2_655 N
O8 ZR1 O9 88.9(7) 1_555 . 1_555 N
O8 ZR1 O10 93.3(7) 1_555 . 1_555 N
O8 ZR1 K15 134.7(5) 1_555 . 1_455 N
O8 ZR1 K15 61.3(5) 1_555 . 1_555 N
O8 ZR1 K14 77.0(6) 1_555 . 1_555 N
O8 ZR1 K14 38.4(5) 1_555 . 2_655 N
O9 ZR1 O10 168.5(8) 1_555 . 1_555 N
O9 ZR1 K15 53.5(5) 1_555 . 1_455 N
O9 ZR1 K15 145.9(5) 1_555 . 1_555 N
O9 ZR1 K14 126.3(6) 1_555 . 1_555 N
O9 ZR1 K14 75.0(6) 1_555 . 2_655 N
O10 ZR1 K15 128.8(6) 1_555 . 1_455 N
O10 ZR1 K15 42.1(5) 1_555 . 1_555 N
O10 ZR1 K14 43.8(7) 1_555 . 1_555 N
O10 ZR1 K14 113.3(6) 1_555 . 2_655 N
K15 ZR1 K15 138.89(34) 1_455 . 1_555 N
K15 ZR1 K14 143.6(4) 1_455 . 1_555 N
K15 ZR1 K14 101.2(4) 1_455 . 2_655 N
K15 ZR1 K14 65.8(4) 1_555 . 1_555 N
K15 ZR1 K14 71.3(4) 1_555 . 2_655 N
K14 ZR1 K14 114.1(4) 1_555 . 2_655 N
O6 SI2 O9 108.1(10) 1_555 . 2_545 N
O6 SI2 O11 110.0(10) 1_555 . 1_555 N
O6 SI2 O13 107.6(10) 1_555 . 1_455 N
O9 SI2 O11 110.7(10) 2_545 . 1_555 N
O9 SI2 O13 108.5(9) 2_545 . 1_455 N
O11 SI2 O13 111.9(9) 1_555 . 1_455 N
O5 SI3 O7 113.3(9) 2_645 . -1_665 N
O5 SI3 O12 108.5(12) 2_645 . 1_555 N
O5 SI3 O13 104.4(12) 2_645 . 1_555 N
O7 SI3 O12 110.1(12) -1_665 . 1_555 N
O7 SI3 O13 109.9(12) -1_665 . 1_555 N
O12 SI3 O13 110.6(9) 1_555 . 1_555 N
O8 SI4 O10 109.9(10) 1_555 . 2_655 N
O8 SI4 O11 109.6(10) 1_555 . 2_655 N
O8 SI4 O12 112.3(9) 1_555 . 2_655 N
O8 SI4 K15 105.5(7) 1_555 . 2_655 N
O8 SI4 K14 51.1(7) 1_555 . 2_655 N
O10 SI4 O11 113.6(10) 2_655 . 2_655 N
O10 SI4 O12 112.4(10) 2_655 . 2_655 N
O10 SI4 K15 47.3(8) 2_655 . 2_655 N
O10 SI4 K14 59.2(9) 2_655 . 2_655 N
O11 SI4 O12 98.7(9) 2_655 . 2_655 N
O11 SI4 K15 144.6(8) 2_655 . 2_655 N
O11 SI4 K14 124.0(9) 2_655 . 2_655 N
O12 SI4 K15 71.8(6) 2_655 . 2_655 N
O12 SI4 K14 136.8(8) 2_655 . 2_655 N
K15 SI4 K14 75.9(5) 2_655 . 2_655 N
ZR1 O5 SI3 129.7(8) 1_555 . 2_655 N
ZR1 O5 K14 98.7(9) 1_555 . 1_555 N
SI3 O5 K14 103.0(12) 2_655 . 1_555 N
ZR1 O6 SI2 137.9(12) 1_555 . 1_555 N
ZR1 O6 K15 99.2(6) 1_555 . 1_455 N
SI2 O6 K15 109.1(9) 1_555 . 1_455 N
ZR1 O7 SI3 139.7(11) 1_555 . -1_665 N
ZR1 O7 K14 96.1(7) 1_555 . 2_655 N
SI3 O7 K14 122.0(10) -1_665 . 2_655 N
ZR1 O8 SI4 142.1(9) 1_555 . 1_555 N
ZR1 O8 K14 114.0(8) 1_555 . 2_655 N
SI4 O8 K14 99.6(9) 1_555 . 2_655 N
ZR1 O9 SI2 146.0(10) 1_555 . 2_555 N
ZR1 O9 K15 95.9(6) 1_555 . 1_455 N
SI2 O9 K15 110.2(8) 2_555 . 1_455 N
ZR1 O10 SI4 137.1(11) 1_555 . 2_645 N
ZR1 O10 K15 108.6(6) 1_555 . 1_555 N
ZR1 O10 K14 107.2(9) 1_555 . 1_555 N
SI4 O10 K15 106.4(10) 2_645 . 1_555 N
SI4 O10 K14 91.1(9) 2_645 . 1_555 N
K15 O10 K14 98.7(8) 1_555 . 1_555 N
SI2 O11 SI4 131.2(10) 1_555 . 2_645 N
SI3 O12 SI4 125.4(9) 1_555 . 2_645 N
SI3 O12 K15 110.2(7) 1_555 . -1_665 N
SI4 O12 K15 111.9(8) 2_645 . -1_665 N
SI2 O13 SI3 128.9(10) 1_655 . 1_555 N
K15 Ow1 K14 96.8(12) -2_476 . 1_455 N
ZR1 K15 ZR1 138.89(34) 1_555 . 1_655 N
ZR1 K15 SI4 54.17(33) 1_555 . 2_645 N
ZR1 K15 O6 126.0(5) 1_555 . 1_655 N
ZR1 K15 O9 114.0(5) 1_555 . 1_655 N
ZR1 K15 O10 29.3(4) 1_555 . 1_555 N
ZR1 K15 O12 67.2(5) 1_555 . -1_665 N
ZR1 K15 Ow1 103.5(9) 1_555 . -2_675 N
ZR1 K15 K14 57.9(4) 1_555 . 1_555 N
ZR1 K15 K14 54.3(4) 1_555 . 2_655 N
ZR1 K15 K14 88.5(5) 1_555 . -2_575 N
ZR1 K15 SI4 118.9(4) 1_655 . 2_645 N
ZR1 K15 O6 31.76(35) 1_655 . 1_655 N
ZR1 K15 O9 30.63(34) 1_655 . 1_655 N
ZR1 K15 O10 127.4(6) 1_655 . 1_555 N
ZR1 K15 O12 153.4(5) 1_655 . -1_665 N
ZR1 K15 Ow1 80.2(9) 1_655 . -2_675 N
ZR1 K15 K14 86.5(4) 1_655 . 1_555 N
ZR1 K15 K14 118.7(4) 1_655 . 2_655 N
ZR1 K15 K14 115.6(5) 1_655 . -2_575 N
SI4 K15 O6 87.9(4) 2_645 . 1_655 N
SI4 K15 O9 125.4(5) 2_645 . 1_655 N
SI4 K15 O10 26.30(34) 2_645 . 1_555 N
SI4 K15 O12 67.9(5) 2_645 . -1_665 N
SI4 K15 Ow1 157.2(11) 2_645 . -2_675 N
SI4 K15 K14 49.5(4) 2_645 . 1_555 N
SI4 K15 K14 108.0(6) 2_645 . 2_655 N
SI4 K15 K14 125.0(7) 2_645 . -2_575 N
O6 K15 O9 54.7(5) 1_655 . 1_655 N
O6 K15 O10 102.3(6) 1_655 . 1_555 N
O6 K15 O12 137.5(5) 1_655 . -1_665 N
O6 K15 Ow1 111.9(10) 1_655 . -2_675 N
O6 K15 K14 68.3(6) 1_655 . 1_555 N
O6 K15 K14 143.4(5) 1_655 . 2_655 N
O6 K15 K14 144.0(8) 1_655 . -2_575 N
O9 K15 O10 117.5(6) 1_655 . 1_555 N
O9 K15 O12 165.4(5) 1_655 . -1_665 N
O9 K15 Ow1 64.4(8) 1_655 . -2_675 N
O9 K15 K14 78.1(5) 1_655 . 1_555 N
O9 K15 K14 90.2(5) 1_655 . 2_655 N
O9 K15 K14 105.2(5) 1_655 . -2_575 N
O10 K15 O12 71.2(7) 1_555 . -1_665 N
O10 K15 Ow1 132.4(10) 1_555 . -2_675 N
O10 K15 K14 41.7(6) 1_555 . 1_555 N
O10 K15 K14 83.6(6) 1_555 . 2_655 N
O10 K15 K14 113.7(8) 1_555 . -2_575 N
O12 K15 Ow1 101.0(8) -1_665 . -2_675 N
O12 K15 K14 112.5(6) -1_665 . 1_555 N
O12 K15 K14 78.8(5) -1_665 . 2_655 N
O12 K15 K14 60.2(5) -1_665 . -2_575 N
Ow1 K15 K14 126.3(8) -2_675 . 1_555 N
Ow1 K15 K14 49.3(8) -2_675 . 2_655 N
Ow1 K15 K14 40.8(8) -2_675 . -2_575 N
K14 K15 K14 96.9(4) 1_555 . 2_655 N
K14 K15 K14 142.7(7) 1_555 . -2_575 N
K14 K15 K14 46.7(5) 2_655 . -2_575 N
ZR1 K14 ZR1 110.9(5) 1_555 . 2_645 N
ZR1 K14 SI4 54.9(4) 1_555 . 2_645 N
ZR1 K14 O5 32.52(34) 1_555 . 1_555 N
ZR1 K14 O7 136.7(8) 1_555 . 2_645 N
ZR1 K14 O8 83.5(6) 1_555 . 2_645 N
ZR1 K14 O10 29.0(4) 1_555 . 1_555 N
ZR1 K14 Ow1 150.2(11) 1_555 . 1_655 N
ZR1 K14 K15 56.2(4) 1_555 . 1_555 N
ZR1 K14 K15 89.6(5) 1_555 . 2_645 N
ZR1 K14 K15 107.8(6) 1_555 . -2_576 N
ZR1 K14 K14 110.9(10) 1_555 . -1_666 N
ZR1 K14 SI4 56.2(4) 2_645 . 2_645 N
ZR1 K14 O5 129.6(8) 2_645 . 1_555 N
ZR1 K14 O7 30.37(32) 2_645 . 2_645 N
ZR1 K14 O8 27.6(4) 2_645 . 2_645 N
ZR1 K14 O10 84.7(6) 2_645 . 1_555 N
ZR1 K14 Ow1 98.6(9) 2_645 . 1_655 N
ZR1 K14 K15 87.3(4) 2_645 . 1_555 N
ZR1 K14 K15 54.4(4) 2_645 . 2_645 N
ZR1 K14 K15 140.7(7) 2_645 . -2_576 N
ZR1 K14 K14 99.4(10) 2_645 . -1_666 N
SI4 K14 O5 80.3(6) 2_645 . 1_555 N
SI4 K14 O7 84.5(7) 2_645 . 2_645 N
SI4 K14 O8 29.3(4) 2_645 . 2_645 N
SI4 K14 O10 29.69(34) 2_645 . 1_555 N
SI4 K14 Ow1 153.7(12) 2_645 . 1_655 N
SI4 K14 K15 54.6(4) 2_645 . 1_555 N
SI4 K14 K15 61.9(5) 2_645 . 2_645 N
SI4 K14 K15 160.1(8) 2_645 . -2_576 N
SI4 K14 K14 120.7(11) 2_645 . -1_666 N
O5 K14 O7 138.8(11) 1_555 . 2_645 N
O5 K14 O8 103.9(9) 1_555 . 2_645 N
O5 K14 O10 60.3(6) 1_555 . 1_555 N
O5 K14 Ow1 125.6(11) 1_555 . 1_655 N
O5 K14 K15 86.6(6) 1_555 . 1_555 N
O5 K14 K15 84.7(7) 1_555 . 2_645 N
O5 K14 K15 88.0(7) 1_555 . -2_576 N
O5 K14 K14 80.7(9) 1_555 . -1_666 N
O7 K14 O8 55.3(6) 2_645 . 2_645 N
O7 K14 O10 114.1(8) 2_645 . 1_555 N
O7 K14 Ow1 72.7(9) 2_645 . 1_655 N
O7 K14 K15 114.7(7) 2_645 . 1_555 N
O7 K14 K15 54.5(7) 2_645 . 2_645 N
O7 K14 K15 114.5(7) 2_645 . -2_576 N
O7 K14 K14 74.7(9) 2_645 . -1_666 N
O8 K14 O10 58.8(6) 2_645 . 1_555 N
O8 K14 Ow1 126.2(12) 2_645 . 1_655 N
O8 K14 K15 73.6(5) 2_645 . 1_555 N
O8 K14 K15 48.5(6) 2_645 . 2_645 N
O8 K14 K15 168.0(10) 2_645 . -2_576 N
O8 K14 K14 107.7(12) 2_645 . -1_666 N
O10 K14 Ow1 163.1(13) 1_555 . 1_655 N
O10 K14 K15 39.6(5) 1_555 . 1_555 N
O10 K14 K15 83.8(6) 1_555 . 2_645 N
O10 K14 K15 130.6(8) 1_555 . -2_576 N
O10 K14 K14 129.7(13) 1_555 . -1_666 N
Ow1 K14 K15 123.8(11) 1_655 . 1_555 N
Ow1 K14 K15 111.7(9) 1_655 . 2_645 N
Ow1 K14 K15 42.4(7) 1_655 . -2_576 N
Ow1 K14 K14 66.3(9) 1_655 . -1_666 N
K15 K14 K15 116.5(5) 1_555 . 2_645 N
K15 K14 K15 109.0(6) 1_555 . -2_576 N
K15 K14 K14 167.1(12) 1_555 . -1_666 N
K15 K14 K15 133.3(5) 2_645 . -2_576 N
K15 K14 K14 60.8(8) 2_645 . -1_666 N
K15 K14 K14 72.6(7) -2_576 . -1_666 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
ZR1 O5 2.161(13) . 1_555 N
ZR1 O6 2.068(16) . 1_555 N
ZR1 O7 1.982(13) . 1_555 N
ZR1 O8 1.978(16) . 1_555 N
ZR1 O9 1.986(16) . 1_555 N
ZR1 O10 2.014(17) . 1_555 N
ZR1 K15 3.878(22) . 1_455 N
ZR1 K15 3.898(22) . 1_555 N
ZR1 K14 3.974(24) . 1_555 N
ZR1 K14 3.897(26) . 2_655 N
SI2 SI3 2.996(15) . 1_455 N
SI2 SI4 2.973(14) . 2_645 N
SI2 O6 1.675(15) . 1_555 N
SI2 O9 1.652(17) . 2_545 N
SI2 O11 1.640(14) . 1_555 N
SI2 O13 1.655(15) . 1_455 N
SI2 K15 3.854(19) . 1_455 N
SI2 K15 4.016(16) . 2_645 N
SI2 K15 4.035(16) . -1_665 N
SI3 SI2 2.996(15) . 1_655 N
SI3 SI4 2.920(15) . 2_645 N
SI3 O5 1.667(15) . 2_645 N
SI3 O7 1.626(15) . -1_665 N
SI3 O12 1.659(17) . 1_555 N
SI3 O13 1.666(16) . 1_555 N
SI3 K14 3.768(28) . 2_645 N
SI4 SI2 2.973(14) . 2_655 N
SI4 SI3 2.920(15) . 2_655 N
SI4 O8 1.664(17) . 1_555 N
SI4 O10 1.661(15) . 2_655 N
SI4 O11 1.625(15) . 2_655 N
SI4 O12 1.628(16) . 2_655 N
SI4 K15 3.597(19) . 2_655 N
SI4 K14 4.012(28) . 1_555 N
SI4 K14 3.354(23) . 2_655 N
O5 ZR1 2.161(13) . 1_555 N
O5 SI3 1.667(15) . 2_655 N
O5 K14 3.02(4) . 1_555 N
O6 ZR1 2.068(16) . 1_555 N
O6 SI2 1.675(15) . 1_555 N
O6 K15 2.967(26) . 1_455 N
O7 ZR1 1.982(13) . 1_555 N
O7 SI3 1.626(15) . -1_665 N
O7 K14 3.152(32) . 2_655 N
O8 ZR1 1.978(16) . 1_555 N
O8 SI4 1.664(17) . 1_555 N
O8 K15 3.420(23) . 1_555 N
O8 K14 2.648(28) . 2_655 N
O9 ZR1 1.986(16) . 1_555 N
O9 SI2 1.652(17) . 2_555 N
O9 K15 3.134(23) . 1_455 N
O10 ZR1 2.014(17) . 1_555 N
O10 SI4 1.661(15) . 2_645 N
O10 K15 2.757(26) . 1_555 N
O10 K14 2.881(28) . 1_555 N
O11 SI2 1.640(14) . 1_555 N
O11 SI4 1.625(15) . 2_645 N
O11 K15 3.669(19) . 2_645 N
O11 K15 3.487(20) . -1_665 N
O11 K14 3.341(29) . 2_645 N
O12 SI3 1.659(17) . 1_555 N
O12 SI4 1.628(16) . 2_645 N
O12 K15 3.454(20) . 1_555 N
O12 K15 3.251(21) . -1_665 N
O13 SI2 1.655(15) . 1_655 N
O13 SI3 1.666(16) . 1_555 N
O13 K15 3.454(20) . 1_555 N
O13 K15 3.341(21) . -1_765 N
Ow1 K15 2.822(30) . -2_465 N
Ow1 K14 2.74(4) . 1_455 N
Ow1 K14 3.45(4) . -1_566 N
K15 ZR1 3.898(22) . 1_555 N
K15 ZR1 3.878(22) . 1_655 N
K15 SI2 3.854(19) . 1_655 N
K15 SI2 4.016(16) . 2_655 N
K15 SI2 4.035(16) . -1_665 N
K15 SI4 3.597(19) . 2_645 N
K15 O6 2.967(26) . 1_655 N
K15 O8 3.420(23) . 1_555 N
K15 O9 3.134(23) . 1_655 N
K15 O10 2.757(26) . 1_555 N
K15 O11 3.669(19) . 2_655 N
K15 O11 3.487(20) . -1_665 N
K15 O12 3.454(20) . 1_555 N
K15 O12 3.251(21) . -1_665 N
K15 O13 3.454(20) . 1_555 N
K15 O13 3.341(21) . -1_765 N
K15 Ow1 2.822(30) . -2_664 N
K15 K14 4.278(23) . 1_555 N
K15 K14 4.543(30) . 2_655 N
K15 K14 4.155(26) . -2_564 N
Ow2 K14 3.46(4) . -1_666 N
K14 ZR1 3.974(24) . 1_555 N
K14 ZR1 3.897(26) . 2_645 N
K14 SI3 3.768(28) . 2_655 N
K14 SI4 4.012(28) . 1_555 N
K14 SI4 3.354(23) . 2_645 N
K14 O5 3.02(4) . 1_555 N
K14 O7 3.152(32) . 2_645 N
K14 O8 2.648(28) . 2_645 N
K14 O10 2.881(28) . 1_555 N
K14 O11 3.341(29) . 2_655 N
K14 Ow1 2.74(4) . 1_655 N
K14 Ow1 3.45(4) . -1_566 N
K14 K15 4.278(23) . 1_555 N
K14 K15 4.543(30) . 2_645 N
K14 K15 4.155(26) . -2_565 N
K14 Ow2 3.46(4) . -1_666 N
K14 K14 3.46(4) . -1_666 N
loop_
_pd_meas_counts_total
_pd_proc_ls_weight
_pd_proc_intensity_bkg_calc
_pd_calc_intensity_total
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86.0 0.0 1087188292861952.00 .
91.0 0.0 1019858573590528.00 .
100.0 0.0 956556929662976.000 .
107.0 0.0 897050828865536.000 .
107.0 0.0 841120556777472.000 .
102.0 0.0 788559216771072.000 .
99.0 0.0 739170582528000.000 .
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70.0 0.0 468003695099904.000 .
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53.0 0.0 257091558178816.000 .
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360.0 0.0 2215.10840 .
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359.0 0.0 540.02948 .
359.0 0.0 465.97873 .
360.0 0.0 417.10239 .
360.0 0.0 386.40384 .
361.0 0.002770 368.49265 368.49097
362.0 0.002762 359.27155 359.26965
361.0 0.002770 355.67999 355.67798
361.0 0.002770 355.48047 355.47858
361.0 0.002770 357.08267 357.08075
360.0 0.002778 359.39813 359.39651
361.0 0.002770 361.72165 361.72012
361.0 0.002770 363.63519 363.63370
361.0 0.002770 364.93097 364.92969
361.0 0.002770 365.55035 365.54904
360.0 0.002778 365.53503 365.53378
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361.0 0.002770 362.88696 362.88544
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364.0 0.002747 358.68536 358.68326
362.0 0.002762 358.29907 358.29694
362.0 0.002762 358.31503 358.31281
364.0 0.002747 358.75983 358.75754
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365.0 0.002740 360.93991 360.93784
366.0 0.002732 362.63361 362.63181
367.0 0.002725 364.67914 364.67767
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370.0 0.002703 369.61545 369.61472
371.0 0.002695 372.38647 372.38623
372.0 0.002688 375.27527 375.27530
373.0 0.002681 378.21851 378.21906
374.0 0.002674 381.15515 381.15625
376.0 0.002660 384.02774 384.02927
379.0 0.002639 386.78336 386.78537
382.0 0.002618 389.37549 389.37805
387.0 0.002584 391.76379 391.76672
393.0 0.002545 393.91446 393.91779
403.0 0.002481 395.80118 414.14105
422.0 0.002370 397.40421 425.10397
467.0 0.002141 398.71121 459.05960
594.0 0.001684 399.71582 581.82770
947.0 0.001056 400.41815 941.98486
1701.0 0.000588 400.82422 1691.33691
2728.0 0.000367 400.94431 2705.56372
3394.0 0.0002946 400.79376 3410.59546
3177.0 0.0003148 400.39160 3221.07275
2279.0 0.000439 399.75967 2308.15552
1355.0 0.000738 398.92239 1350.94080
799.0 0.001252 397.90634 759.89728
552.0 0.001812 396.73859 513.48199
455.0 0.002198 395.44745 437.79492
416.0 0.002404 394.06073 416.94836
398.0 0.002513 392.60620 392.60864
391.0 0.002558 391.11041 391.11261
387.0 0.002584 389.59894 389.60077
384.0 0.002604 388.09531 388.09698
381.0 0.002625 386.62152 386.62277
380.0 0.002632 385.19717 385.19815
377.0 0.002653 383.84000 383.84052
376.0 0.002660 382.56464 382.56494
375.0 0.002667 381.38388 381.38388
376.0 0.002660 380.30746 380.30719
376.0 0.002660 379.34305 379.34259
376.0 0.002660 378.49588 378.49506
376.0 0.002660 377.76843 377.76767
377.0 0.002653 377.16141 377.16046
377.0 0.002653 376.67343 376.67230
377.0 0.002653 376.30081 376.29959
377.0 0.002653 376.03864 376.03760
378.0 0.002646 375.88058 375.87930
378.0 0.002646 375.81824 375.81708
378.0 0.002646 375.84314 375.84192
377.0 0.002653 375.94534 376.30511
377.0 0.002653 376.11441 376.53717
379.0 0.002639 376.33963 376.84329
379.0 0.002639 376.60989 377.21970
380.0 0.002632 376.91415 377.66806
381.0 0.002625 377.24146 378.20892
380.0 0.002632 377.58170 378.93918
381.0 0.002625 377.92456 380.23004
382.0 0.002618 378.26074 383.12964
385.0 0.002597 378.58176 389.58588
393.0 0.002545 378.87991 401.32938
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863.0 0.001159 848.04742 901.60870
970.0 0.001031 852.16498 1018.23462
1184.0 0.000845 856.20648 1233.90747
1505.0 0.000664 860.16412 1530.53564
1839.0 0.000544 864.02747 1810.28870
2017.0 0.000496 867.78717 1944.03943
1938.0 0.000516 871.43439 1872.82068
1656.0 0.000604 874.95923 1627.07373
1330.0 0.000752 878.35413 1331.21655
1086.0 0.000921 881.60870 1099.50732
957.0 0.001045 884.71478 953.39386
910.0 0.001099 887.66370 905.52362
914.0 0.001094 890.44727 904.19470
961.0 0.001041 893.05774 959.33685
1080.0 0.000926 895.48688 1081.54810
1307.0 0.000765 897.72736 1315.94727
1633.0 0.000612 899.77252 1643.06152
1975.0 0.000506 901.61517 1955.31274
2197.0 0.000455 903.24969 2134.43896
2230.0 0.000448 904.66974 2153.40625
2136.0 0.000468 905.86951 2066.07642
2038.0 0.000491 906.84497 2003.89355
2028.0 0.000493 907.59106 2039.48474
2137.0 0.000468 908.10425 2156.21973
2349.0 0.000426 908.38062 2305.94189
2617.0 0.000382 908.41766 2464.73413
2858.0 0.0003499 908.21271 2631.45508
2987.0 0.0003348 907.76416 2780.85547
2945.0 0.0003396 907.07062 2857.08276
2745.0 0.000364 906.13147 2799.70581
2457.0 0.000407 904.94653 2577.10303
2154.0 0.000464 903.51648 2226.77197
1865.0 0.000536 901.84222 1840.70618
1601.0 0.000625 899.92566 1500.49634
1369.0 0.000730 897.76837 1249.95874
1182.0 0.000846 895.37396 1086.96313
1046.0 0.000956 892.74481 994.98138
963.0 0.001038 889.88568 950.09808
921.0 0.001086 886.80060 934.20898
915.0 0.001093 883.49445 945.34113
956.0 0.001046 879.97308 1001.71967
1088.0 0.000919 876.24152 1151.17224
1381.0 0.000724 872.30762 1445.01794
1886.0 0.000530 868.17676 1912.57703
2543.0 0.000393 863.85754 2486.87549
3134.0 0.0003191 859.35736 2995.92261
3393.0 0.0002947 854.68365 3230.11157
3188.0 0.0003137 849.84613 3077.76709
2631.0 0.000380 844.85187 2603.41406
1981.0 0.000505 839.71191 2016.89856
1445.0 0.000692 834.43445 1504.79407
1107.0 0.000903 829.02930 1159.47449
936.0 0.001068 823.50677 975.76770
867.0 0.001153 817.87616 901.12213
852.0 0.001174 812.14801 888.62592
865.0 0.001156 806.33344 909.92645
893.0 0.001120 800.44141 949.75598
936.0 0.001068 794.48334 1001.23279
997.0 0.001003 788.46863 1055.06274
1087.0 0.000920 782.40839 1106.95789
1212.0 0.000825 776.31348 1167.08167
1371.0 0.000729 770.19287 1264.64307
1551.0 0.000645 764.05847 1427.31335
1729.0 0.000578 757.91791 1653.45618
1887.0 0.000530 751.78326 1902.12280
2013.0 0.000497 745.66357 2106.22900
2089.0 0.000479 739.56708 2203.48218
2092.0 0.000478 733.50439 2165.43188
1997.0 0.000501 727.48303 2000.41858
1796.0 0.000557 721.51245 1743.35791
1529.0 0.000654 715.60071 1446.75769
1255.0 0.000797 709.75543 1169.16992
1025.0 0.000976 703.98450 954.97571
864.0 0.001157 698.29352 817.40912
765.0 0.001307 692.69031 742.68561
710.0 0.001408 687.18146 706.97815
680.0 0.001471 681.77209 690.41968
661.0 0.001513 676.46741 681.50018
650.0 0.001538 671.27216 675.14673
642.0 0.001558 666.19061 669.60388
636.0 0.001572 661.22809 664.41406
632.0 0.001582 656.38593 659.53882
630.0 0.001587 651.66895 654.84009
631.0 0.001585 647.07770 649.15375
636.0 0.001572 642.61560 646.47955
644.0 0.001553 638.28448 644.71973
655.0 0.001527 634.08386 650.58923
667.0 0.001499 630.01581 664.76477
677.0 0.001477 626.07898 687.07336
686.0 0.001458 622.27441 711.52942
695.0 0.001439 618.60126 729.38336
710.0 0.001408 615.05817 736.07104
731.0 0.001368 611.64386 730.58020
750.0 0.001333 608.35590 715.36017
754.0 0.001326 605.19250 695.32556
733.0 0.001364 602.15216 673.21832
695.0 0.001439 599.23059 649.98303
654.0 0.001529 596.42572 627.87000
622.0 0.001608 593.73389 609.90955
603.0 0.001658 591.15112 597.58405
593.0 0.001686 588.67480 590.13519
586.0 0.001706 586.29980 585.78070
583.0 0.001715 584.02289 582.95941
581.0 0.001721 581.83966 580.76019
579.0 0.001727 579.74542 578.78900
577.0 0.001733 577.73669 577.43353
576.0 0.001736 575.80792 575.66406
575.0 0.001739 573.95557 574.66107
575.0 0.001739 572.17468 572.96844
574.0 0.001742 570.46100 571.36041
574.0 0.001742 568.81024 569.83850
576.0 0.001736 567.21826 568.40741
577.0 0.001733 565.68085 567.08240
581.0 0.001721 564.19305 563.78473
587.0 0.001704 562.75226 564.32819
597.0 0.001675 561.35388 569.30963
610.0 0.001639 559.99438 583.12451
628.0 0.001592 558.67047 610.32971
649.0 0.001541 557.37891 650.51379
670.0 0.001493 556.11633 695.22565
685.0 0.001460 554.88025 733.10895
691.0 0.001447 553.66803 756.91315
690.0 0.001449 552.47760 763.22961
685.0 0.001460 551.30597 754.20673
681.0 0.001468 550.15198 735.93268
678.0 0.001475 549.01373 714.47778
676.0 0.001479 547.88959 695.83594
674.0 0.001484 546.77917 684.00812
668.0 0.001497 545.68091 678.54187
661.0 0.001513 544.59399 674.59180
653.0 0.001531 543.51868 665.71753
646.0 0.001548 542.45386 648.00439
641.0 0.001560 541.40021 623.97491
634.0 0.001577 540.35748 597.23694
623.0 0.001605 539.32617 574.16998
608.0 0.001645 538.30688 557.53656
590.0 0.001695 537.29999 547.21930
573.0 0.001745 536.30646 541.52386
559.0 0.001789 535.32745 538.55176
548.0 0.001825 534.36359 536.92804
543.0 0.001842 533.41626 535.89081
539.0 0.001855 532.48651 535.10065
535.0 0.001869 531.57581 534.43994
532.0 0.001880 530.68494 533.88165
531.0 0.001883 529.81555 533.44061
530.0 0.001887 528.96899 533.16315
530.0 0.001887 528.14600 533.16101
531.0 0.001883 527.34821 533.69208
534.0 0.001873 526.57678 535.20697
541.0 0.001848 525.83215 539.00903
551.0 0.001815 525.11572 545.75769
567.0 0.001764 524.42841 559.70868
590.0 0.001695 523.77039 582.93915
618.0 0.001618 523.14252 615.74518
649.0 0.001541 522.54486 657.23010
684.0 0.001462 521.97809 702.69342
718.0 0.001393 521.44153 744.68475
750.0 0.001333 520.93549 775.42633
780.0 0.001282 520.45917 792.02100
799.0 0.001252 520.01233 799.16193
804.0 0.001244 519.59381 801.96045
791.0 0.001264 519.20251 798.46320
766.0 0.001305 518.83752 782.60809
733.0 0.001364 518.49701 751.63293
699.0 0.001431 518.17920 712.57806
671.0 0.001490 517.88239 677.00446
660.0 0.001515 517.60431 661.58173
677.0 0.001477 517.34253 674.57971
722.0 0.001385 517.09485 711.05115
782.0 0.001279 516.85846 754.43781
825.0 0.001212 516.63013 783.79669
827.0 0.001209 516.40710 783.79022
780.0 0.001282 516.18652 752.41217
706.0 0.001416 515.96448 700.87854
633.0 0.001580 515.73804 646.15491
581.0 0.001721 515.50360 602.66602
558.0 0.001792 515.25787 578.23779
559.0 0.001789 514.99677 574.55566
579.0 0.001727 514.71759 583.76990
614.0 0.001629 514.41583 613.49835
661.0 0.001513 514.08844 654.76819
714.0 0.001401 513.73187 699.70306
768.0 0.001302 513.34265 756.79016
820.0 0.001220 512.91779 820.05750
862.0 0.001160 512.45367 886.84460
896.0 0.001116 511.94748 946.22424
924.0 0.001082 511.39627 985.48431
940.0 0.001064 510.79739 992.17072
932.0 0.001073 510.14850 954.01099
890.0 0.001124 509.44699 876.41394
812.0 0.001232 508.69122 780.40308
717.0 0.001395 507.87909 683.42224
630.0 0.001587 507.00970 601.85413
564.0 0.001773 506.08148 545.81720
525.0 0.001905 505.09381 514.61212
502.0 0.001992 504.04581 500.68152
491.0 0.002037 502.93768 495.80594
485.0 0.002062 501.76974 494.51691
482.0 0.002075 500.54190 494.19623
480.0 0.002083 499.25555 493.93073
480.0 0.002083 497.91147 493.53473
482.0 0.002075 496.51126 496.96484
487.0 0.002053 495.05704 495.97516
496.0 0.002016 493.55109 495.45447
508.0 0.001969 491.99548 494.73782
519.0 0.001927 490.39346 493.91550
527.0 0.001898 488.74808 492.76566
526.0 0.001901 487.06305 491.16248
520.0 0.001923 485.34198 489.13681
510.0 0.001961 483.58835 486.73331
501.0 0.001996 481.80731 484.48145
494.0 0.002024 480.00241 482.43851
489.0 0.002045 478.17929 480.70612
485.0 0.002062 476.34213 478.65079
485.0 0.002062 474.49573 477.68460
486.0 0.002058 472.64542 477.82916
490.0 0.002041 470.79672 480.43085
499.0 0.002004 468.95474 487.49509
512.0 0.001953 467.12427 501.38205
531.0 0.001883 465.31088 523.64417
553.0 0.001808 463.51978 553.86200
576.0 0.001736 461.75623 588.91254
595.0 0.001681 460.02527 623.33374
608.0 0.001645 458.33197 650.90039
611.0 0.001637 456.68054 665.13354
603.0 0.001658 455.07645 664.31665
586.0 0.001706 453.52356 650.68866
565.0 0.001770 452.02652 628.32062
545.0 0.001835 450.58899 601.47668
530.0 0.001887 449.21457 574.01898
521.0 0.001919 447.90668 548.91010
516.0 0.001938 446.66837 527.96619
512.0 0.001953 445.50217 511.53778
509.0 0.001965 444.41086 498.79761
504.0 0.001984 443.39572 488.22171
499.0 0.002004 442.45865 479.17676
496.0 0.002016 441.60092 471.02631
494.0 0.002024 440.82321 464.16589
496.0 0.002016 440.12585 459.35846
501.0 0.001996 439.50858 457.20547
508.0 0.001969 438.97128 457.01843
517.0 0.001934 438.51248 463.42548
527.0 0.001898 438.13135 476.70096
540.0 0.001852 437.82623 500.32388
560.0 0.001786 437.59460 535.05945
585.0 0.001709 437.43411 577.60846
613.0 0.001631 437.34192 618.58563
632.0 0.001582 437.31470 646.86487
633.0 0.001580 437.34909 653.79095
613.0 0.001631 437.44092 636.71564
580.0 0.001724 437.58609 601.66412
547.0 0.001828 437.78049 561.27515
521.0 0.001919 438.01840 528.18805
504.0 0.001984 438.29562 508.65753
497.0 0.002012 438.60690 504.16483
495.0 0.002020 438.94666 511.76001
499.0 0.002004 439.30917 525.00122
505.0 0.001980 439.68936 536.78693
509.0 0.001965 440.08093 541.32178
509.0 0.001965 440.47812 536.10077
504.0 0.001984 440.87537 522.42969
495.0 0.002020 441.26669 504.40060
485.0 0.002062 441.64597 487.22134
478.0 0.002092 442.00760 475.50546
476.0 0.002101 442.34579 472.35669
484.0 0.002066 442.65509 479.34769
504.0 0.001984 442.93002 496.68219
536.0 0.001866 443.16476 522.89447
576.0 0.001736 443.35483 554.25177
612.0 0.001634 443.49503 584.59473
635.0 0.001575 443.58084 606.34790
639.0 0.001565 443.60770 612.99280
622.0 0.001608 443.57159 602.33813
591.0 0.001692 443.46902 577.85455
555.0 0.001802 443.29642 546.44495
521.0 0.001919 443.05099 515.06757
493.0 0.002028 442.72995 488.67599
474.0 0.002110 442.33130 469.38834
460.0 0.002174 441.85349 456.75208
451.0 0.002217 441.29498 449.40341
445.0 0.002247 440.65527 445.16028
439.0 0.002278 439.93439 442.69272
435.0 0.002299 439.13269 441.08472
432.0 0.002315 438.25107 439.82751
431.0 0.002320 437.29099 438.67969
431.0 0.002320 436.25504 437.54004
430.0 0.002326 435.14557 436.36966
430.0 0.002326 433.96649 435.15726
430.0 0.002326 432.72198 433.90311
429.0 0.002331 431.41647 432.11270
429.0 0.002331 430.05597 430.86127
429.0 0.002331 428.64624 429.62311
429.0 0.002331 427.19495 427.58646
431.0 0.002320 425.70947 426.90460
433.0 0.002309 424.19766 427.39542
436.0 0.002294 422.66931 429.87402
439.0 0.002278 421.13394 435.21793
441.0 0.002268 419.60242 443.38403
442.0 0.002262 418.08548 452.74078
441.0 0.002268 416.59503 460.49591
439.0 0.002278 415.14331 464.49026
438.0 0.002283 413.74393 463.97690
439.0 0.002278 412.40961 459.16757
442.0 0.002262 411.15466 452.05096
446.0 0.002242 409.99295 445.64673
451.0 0.002217 408.93942 441.70773
456.0 0.002193 408.00861 441.84207
462.0 0.002165 407.21533 445.76636
468.0 0.002137 406.57471 453.02252
476.0 0.002101 406.10104 463.16635
484.0 0.002066 405.80905 475.29526
494.0 0.002024 405.71268 488.13617
503.0 0.001988 405.82513 500.33667
514.0 0.001946 406.15924 511.11331
523.0 0.001912 406.72696 520.61005
530.0 0.001887 407.53873 528.92084
533.0 0.001876 408.60437 534.75745
531.0 0.001883 409.93146 535.69482
527.0 0.001898 411.52652 529.82397
520.0 0.001923 413.39404 516.88647
510.0 0.001961 415.53683 498.68918
499.0 0.002004 417.95462 478.92114
488.0 0.002049 420.64539 461.62009
478.0 0.002092 423.60495 449.64612
470.0 0.002128 426.82593 443.93430
464.0 0.002155 430.29819 443.97775
461.0 0.002169 434.00858 448.63809
461.0 0.002169 437.94086 456.83102
463.0 0.002160 442.07571 467.22327
466.0 0.002146 446.39221 478.91309
469.0 0.002132 450.86386 490.55283
472.0 0.002119 455.46338 500.80240
474.0 0.002110 460.15817 508.62570
478.0 0.002092 464.91559 513.65131
481.0 0.002079 469.69989 516.31171
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494.0 0.002024 479.19034 518.84180
504.0 0.001984 483.81332 520.33569
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533.0 0.001876 496.67816 524.17053
539.0 0.001855 500.48489 523.78583
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537.0 0.001862 509.87119 522.28937
536.0 0.001866 512.19568 524.41431
538.0 0.001859 514.06287 527.57294
544.0 0.001838 515.44635 535.60663
552.0 0.001812 516.32520 547.71887
564.0 0.001773 516.68463 564.48425
579.0 0.001727 516.51617 586.09570
605.0 0.001653 515.81903 612.30371
648.0 0.001543 514.60010 642.20935
706.0 0.001416 512.87439 674.56903
769.0 0.001300 510.66479 707.95691
824.0 0.001214 508.00363 739.05786
849.0 0.001178 504.93063 763.49139
837.0 0.001195 501.49515 775.28137
789.0 0.001267 497.75241 769.54767
720.0 0.001389 493.76459 745.76233
648.0 0.001543 489.60110 707.48334
587.0 0.001704 485.33563 659.62927
542.0 0.001845 481.04498 609.84528
513.0 0.001949 476.80634 565.83209
497.0 0.002012 472.69785 532.34546
491.0 0.002037 468.79391 509.89404
488.0 0.002049 465.16492 495.99399
490.0 0.002041 461.87302 487.37869
493.0 0.002028 458.96964 481.60818
497.0 0.002012 456.49298 477.58362
500.0 0.002000 454.46603 475.30890
500.0 0.002000 452.89377 475.38440
501.0 0.001996 451.75992 478.45950
505.0 0.001980 451.02603 484.98584
511.0 0.001957 450.62949 494.77325
518.0 0.001931 450.48322 507.04004
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547.0 0.001828 449.83569 553.88995
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557.0 0.001795 447.14771 561.33252
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552.0 0.001812 440.90979 560.30347
545.0 0.001835 436.04254 554.60156
535.0 0.001869 429.84851 548.48096
525.0 0.001905 422.27173 537.68842
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492.0 0.002033 391.80444 483.09900
484.0 0.002066 379.73611 470.05817
483.0 0.002070 367.32867 468.68658
493.0 0.002028 355.13736 483.05130
517.0 0.001934 343.82849 513.14362
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488.0 0.002049 367.02570 482.60767
460.0 0.002174 383.21451 457.37833
443.0 0.002257 394.71838 446.53815
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