#------------------------------------------------------------------------------
#$Date: 2021-02-04 05:33:29 +0200 (Thu, 04 Feb 2021) $
#$Revision: 261505 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/99/1559936.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_1559936
loop_
_publ_author_name
'Moon, Dae Jun'
'Lim, Woo Taik'
'Peterson, Brian K.'
'Seff, Karl'
_publ_section_title
;
 Using Crystallography and NMR to Count the Number of Three-Aluminum
 Six-Rings in Fully Zn2+-Exchanged Zeolite Y. These Six-Rings Concentrate
 at Single Six-Ring Positions
;
_journal_issue                   1
_journal_name_full               'The Journal of Physical Chemistry C'
_journal_page_first              583
_journal_page_last               592
_journal_paper_doi               10.1021/acs.jpcc.0c09682
_journal_volume                  125
_journal_year                    2021
_chemical_formula_sum            'O384 Si192 Zn35.93'
_chemical_formula_weight         13885.59
_space_group_crystal_system      cubic
_space_group_IT_number           227
_space_group_name_Hall           '-F 4vw 2vw 3'
_space_group_name_H-M_alt        'F d -3 m :2'
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   24.7334(3)
_cell_length_b                   24.7334(3)
_cell_length_c                   24.7334(3)
_cell_measurement_temperature    100(1)
_cell_volume                     15130.4(3)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(1)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.956
_diffrn_radiation_wavelength     0.630
_diffrn_reflns_av_R_equivalents  0.0108
_diffrn_reflns_av_unetI/netI     0.0155
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.956
_diffrn_reflns_limit_h_max       43
_diffrn_reflns_limit_h_min       2
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3414
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.956
_diffrn_reflns_theta_full        22.210
_diffrn_reflns_theta_max         33.519
_diffrn_reflns_theta_min         2.064
_exptl_absorpt_coefficient_mu    1.711
_exptl_crystal_density_diffrn    1.524
_exptl_crystal_F_000             6837
_refine_diff_density_max         1.054
_refine_diff_density_min         -0.673
_refine_diff_density_rms         0.165
_refine_ls_extinction_coef       0.00054(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.174
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     72
_refine_ls_number_reflns         1967
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.174
_refine_ls_R_factor_all          0.0796
_refine_ls_R_factor_gt           0.0725
_refine_ls_shift/su_max          0.706
_refine_ls_shift/su_mean         0.216
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0813P)²+277.8938P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2099
_refine_ls_wR_factor_ref         0.2155
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1733
_reflns_number_total             1967
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ZnY773-3.cif
_cod_data_source_block           ZnY773-3
_cod_depositor_comments
'Adding full bibliography for 1559931--1559945.cif.'
_cod_original_cell_volume        15130.4(6)
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_database_code               1559936
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+3/4, -y+1/4, z+1/2'
'-x+1/4, y+1/2, -z+3/4'
'x+1/2, -y+3/4, -z+1/4'
'z, x, y'
'z+1/2, -x+3/4, -y+1/4'
'-z+3/4, -x+1/4, y+1/2'
'-z+1/4, x+1/2, -y+3/4'
'y, z, x'
'-y+1/4, z+1/2, -x+3/4'
'y+1/2, -z+3/4, -x+1/4'
'-y+3/4, -z+1/4, x+1/2'
'y+3/4, x+1/4, -z+1/2'
'-y, -x, -z'
'y+1/4, -x+1/2, z+3/4'
'-y+1/2, x+3/4, z+1/4'
'x+3/4, z+1/4, -y+1/2'
'-x+1/2, z+3/4, y+1/4'
'-x, -z, -y'
'x+1/4, -z+1/2, y+3/4'
'z+3/4, y+1/4, -x+1/2'
'z+1/4, -y+1/2, x+3/4'
'-z+1/2, y+3/4, x+1/4'
'-z, -y, -x'
'x, y+1/2, z+1/2'
'-x+3/4, -y+3/4, z+1'
'-x+1/4, y+1, -z+5/4'
'x+1/2, -y+5/4, -z+3/4'
'z, x+1/2, y+1/2'
'z+1/2, -x+5/4, -y+3/4'
'-z+3/4, -x+3/4, y+1'
'-z+1/4, x+1, -y+5/4'
'y, z+1/2, x+1/2'
'-y+1/4, z+1, -x+5/4'
'y+1/2, -z+5/4, -x+3/4'
'-y+3/4, -z+3/4, x+1'
'y+3/4, x+3/4, -z+1'
'-y, -x+1/2, -z+1/2'
'y+1/4, -x+1, z+5/4'
'-y+1/2, x+5/4, z+3/4'
'x+3/4, z+3/4, -y+1'
'-x+1/2, z+5/4, y+3/4'
'-x, -z+1/2, -y+1/2'
'x+1/4, -z+1, y+5/4'
'z+3/4, y+3/4, -x+1'
'z+1/4, -y+1, x+5/4'
'-z+1/2, y+5/4, x+3/4'
'-z, -y+1/2, -x+1/2'
'x+1/2, y, z+1/2'
'-x+5/4, -y+1/4, z+1'
'-x+3/4, y+1/2, -z+5/4'
'x+1, -y+3/4, -z+3/4'
'z+1/2, x, y+1/2'
'z+1, -x+3/4, -y+3/4'
'-z+5/4, -x+1/4, y+1'
'-z+3/4, x+1/2, -y+5/4'
'y+1/2, z, x+1/2'
'-y+3/4, z+1/2, -x+5/4'
'y+1, -z+3/4, -x+3/4'
'-y+5/4, -z+1/4, x+1'
'y+5/4, x+1/4, -z+1'
'-y+1/2, -x, -z+1/2'
'y+3/4, -x+1/2, z+5/4'
'-y+1, x+3/4, z+3/4'
'x+5/4, z+1/4, -y+1'
'-x+1, z+3/4, y+3/4'
'-x+1/2, -z, -y+1/2'
'x+3/4, -z+1/2, y+5/4'
'z+5/4, y+1/4, -x+1'
'z+3/4, -y+1/2, x+5/4'
'-z+1, y+3/4, x+3/4'
'-z+1/2, -y, -x+1/2'
'x+1/2, y+1/2, z'
'-x+5/4, -y+3/4, z+1/2'
'-x+3/4, y+1, -z+3/4'
'x+1, -y+5/4, -z+1/4'
'z+1/2, x+1/2, y'
'z+1, -x+5/4, -y+1/4'
'-z+5/4, -x+3/4, y+1/2'
'-z+3/4, x+1, -y+3/4'
'y+1/2, z+1/2, x'
'-y+3/4, z+1, -x+3/4'
'y+1, -z+5/4, -x+1/4'
'-y+5/4, -z+3/4, x+1/2'
'y+5/4, x+3/4, -z+1/2'
'-y+1/2, -x+1/2, -z'
'y+3/4, -x+1, z+3/4'
'-y+1, x+5/4, z+1/4'
'x+5/4, z+3/4, -y+1/2'
'-x+1, z+5/4, y+1/4'
'-x+1/2, -z+1/2, -y'
'x+3/4, -z+1, y+3/4'
'z+5/4, y+3/4, -x+1/2'
'z+3/4, -y+1, x+3/4'
'-z+1, y+5/4, x+1/4'
'-z+1/2, -y+1/2, -x'
'-x, -y, -z'
'x-3/4, y-1/4, -z-1/2'
'x-1/4, -y-1/2, z-3/4'
'-x-1/2, y-3/4, z-1/4'
'-z, -x, -y'
'-z-1/2, x-3/4, y-1/4'
'z-3/4, x-1/4, -y-1/2'
'z-1/4, -x-1/2, y-3/4'
'-y, -z, -x'
'y-1/4, -z-1/2, x-3/4'
'-y-1/2, z-3/4, x-1/4'
'y-3/4, z-1/4, -x-1/2'
'-y-3/4, -x-1/4, z-1/2'
'y, x, z'
'-y-1/4, x-1/2, -z-3/4'
'y-1/2, -x-3/4, -z-1/4'
'-x-3/4, -z-1/4, y-1/2'
'x-1/2, -z-3/4, -y-1/4'
'x, z, y'
'-x-1/4, z-1/2, -y-3/4'
'-z-3/4, -y-1/4, x-1/2'
'-z-1/4, y-1/2, -x-3/4'
'z-1/2, -y-3/4, -x-1/4'
'z, y, x'
'-x, -y+1/2, -z+1/2'
'x-3/4, y+1/4, -z'
'x-1/4, -y, z-1/4'
'-x-1/2, y-1/4, z+1/4'
'-z, -x+1/2, -y+1/2'
'-z-1/2, x-1/4, y+1/4'
'z-3/4, x+1/4, -y'
'z-1/4, -x, y-1/4'
'-y, -z+1/2, -x+1/2'
'y-1/4, -z, x-1/4'
'-y-1/2, z-1/4, x+1/4'
'y-3/4, z+1/4, -x'
'-y-3/4, -x+1/4, z'
'y, x+1/2, z+1/2'
'-y-1/4, x, -z-1/4'
'y-1/2, -x-1/4, -z+1/4'
'-x-3/4, -z+1/4, y'
'x-1/2, -z-1/4, -y+1/4'
'x, z+1/2, y+1/2'
'-x-1/4, z, -y-1/4'
'-z-3/4, -y+1/4, x'
'-z-1/4, y, -x-1/4'
'z-1/2, -y-1/4, -x+1/4'
'z, y+1/2, x+1/2'
'-x+1/2, -y, -z+1/2'
'x-1/4, y-1/4, -z'
'x+1/4, -y-1/2, z-1/4'
'-x, y-3/4, z+1/4'
'-z+1/2, -x, -y+1/2'
'-z, x-3/4, y+1/4'
'z-1/4, x-1/4, -y'
'z+1/4, -x-1/2, y-1/4'
'-y+1/2, -z, -x+1/2'
'y+1/4, -z-1/2, x-1/4'
'-y, z-3/4, x+1/4'
'y-1/4, z-1/4, -x'
'-y-1/4, -x-1/4, z'
'y+1/2, x, z+1/2'
'-y+1/4, x-1/2, -z-1/4'
'y, -x-3/4, -z+1/4'
'-x-1/4, -z-1/4, y'
'x, -z-3/4, -y+1/4'
'x+1/2, z, y+1/2'
'-x+1/4, z-1/2, -y-1/4'
'-z-1/4, -y-1/4, x'
'-z+1/4, y-1/2, -x-1/4'
'z, -y-3/4, -x+1/4'
'z+1/2, y, x+1/2'
'-x+1/2, -y+1/2, -z'
'x-1/4, y+1/4, -z-1/2'
'x+1/4, -y, z-3/4'
'-x, y-1/4, z-1/4'
'-z+1/2, -x+1/2, -y'
'-z, x-1/4, y-1/4'
'z-1/4, x+1/4, -y-1/2'
'z+1/4, -x, y-3/4'
'-y+1/2, -z+1/2, -x'
'y+1/4, -z, x-3/4'
'-y, z-1/4, x-1/4'
'y-1/4, z+1/4, -x-1/2'
'-y-1/4, -x+1/4, z-1/2'
'y+1/2, x+1/2, z'
'-y+1/4, x, -z-3/4'
'y, -x-1/4, -z-1/4'
'-x-1/4, -z+1/4, y-1/2'
'x, -z-1/4, -y-1/4'
'x+1/2, z+1/2, y'
'-x+1/4, z, -y-3/4'
'-z-1/4, -y+1/4, x-1/2'
'-z+1/4, y, -x-3/4'
'z, -y-1/4, -x-1/4'
'z+1/2, y+1/2, x'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si Si -0.05250(3) 0.12373(2) 0.03643(2) 0.00966(19) Uani 1 1 d . . . . .
O1 O -0.10315(10) 0.000000 0.10315(10) 0.0374(9) Uani 1 2 d S T P . .
O2A O 0.0031(2) 0.0031(2) 0.1506(4) 0.0136(12) Uani 0.5677 2 d S T P . .
O2B O -0.0061(3) -0.0061(3) 0.1432(5) 0.0157(17) Uani 0.4323 2 d S T P . .
O3A O -0.0286(10) 0.0600(5) 0.0600(5) 0.009(3) Uani 0.163(4) 2 d S T P . .
O3B O -0.0258(3) 0.07126(14) 0.07126(14) 0.0204(9) Uani 0.837(4) 2 d S T P . .
O4 O 0.07886(9) 0.07886(9) 0.31935(13) 0.0214(5) Uani 1 2 d S T P . .
Zn1 Zn 0.000000 0.000000 0.000000 0.0283(18) Uani 0.163(4) 12 d S T P . .
Zn1P Zn 0.03973(7) 0.03973(7) 0.03973(7) 0.0155(5) Uani 0.365(4) 6 d S T P . .
Zn1' Zn 0.0585(4) 0.0585(4) 0.0585(4) 0.031(4) Uani 0.108(7) 6 d S T P . .
Zn2' Zn 0.1998(2) 0.1998(2) 0.1998(2) 0.009(3) Uani 0.070(5) 6 d S T . . .
Zn2P Zn 0.21783(4) 0.21783(4) 0.21783(4) 0.0104(5) Uani 0.417(5) 6 d S T . . .
Zn2 Zn 0.2398(5) 0.2398(5) 0.2398(5) 0.035(5) Uani 0.080(5) 6 d S T . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0100 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0800 0.0690 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2940 1.3980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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_3
_geom_angle_publ_flag
O1 Si O4 112.70(16) 101 55_454 ?
O1 Si O2B 106.1(4) 101 9 ?
O4 Si O2B 112.6(4) 55_454 9 ?
O1 Si O3B 110.1(2) 101 . ?
O4 Si O3B 108.9(2) 55_454 . ?
O2B Si O3B 106.3(5) 9 . ?
O1 Si O2A 117.9(2) 101 9 ?
O4 Si O2A 103.5(3) 55_454 9 ?
O2B Si O2A 12.2(4) 9 9 ?
O3B Si O2A 103.0(4) . 9 ?
O1 Si O3A 99.2(7) 101 . ?
O4 Si O3A 120.7(5) 55_454 . ?
O2B Si O3A 103.9(8) 9 . ?
O3B Si O3A 12.8(5) . . ?
O2A Si O3A 103.3(8) 9 . ?
O1 Si Zn1P 111.93(14) 101 . ?
O4 Si Zn1P 131.07(12) 55_454 . ?
O2B Si Zn1P 72.3(5) 9 . ?
O3B Si Zn1P 35.09(17) . . ?
O2A Si Zn1P 71.5(4) 9 . ?
O3A Si Zn1P 31.9(7) . . ?
O1 Si Zn2P 136.83(7) 101 27_544 ?
O4 Si Zn2P 69.99(11) 55_454 27_544 ?
O2B Si Zn2P 44.6(3) 9 27_544 ?
O3B Si Zn2P 109.0(2) . 27_544 ?
O2A Si Zn2P 33.9(2) 9 27_544 ?
O3A Si Zn2P 116.5(7) . 27_544 ?
Zn1P Si Zn2P 90.40(6) . 27_544 ?
O1 Si Zn2' 149.36(17) 101 27_544 ?
O4 Si Zn2' 73.11(12) 55_454 27_544 ?
O2B Si Zn2' 48.1(3) 9 27_544 ?
O3B Si Zn2' 95.0(3) . 27_544 ?
O2A Si Zn2' 36.0(2) 9 27_544 ?
O3A Si Zn2' 102.9(7) . 27_544 ?
Zn1P Si Zn2' 78.77(17) . 27_544 ?
Zn2P Si Zn2' 14.01(19) 27_544 27_544 ?
O1 Si Zn1' 126.3(3) 101 . ?
O4 Si Zn1' 118.0(3) 55_454 . ?
O2B Si Zn1' 70.1(5) 9 . ?
O3B Si Zn1' 36.8(2) . . ?
O2A Si Zn1' 66.2(4) 9 . ?
O3A Si Zn1' 38.8(7) . . ?
Zn1P Si Zn1' 14.3(2) . . ?
Zn2P Si Zn1' 79.0(2) 27_544 . ?
Zn2' Si Zn1' 66.4(3) 27_544 . ?
O1 Si Zn2 121.4(3) 101 27_544 ?
O4 Si Zn2 67.88(11) 55_454 27_544 ?
O2B Si Zn2 44.8(4) 9 27_544 ?
O3B Si Zn2 125.4(4) . 27_544 ?
O2A Si Zn2 37.6(3) 9 27_544 ?
O3A Si Zn2 132.3(8) . 27_544 ?
Zn1P Si Zn2 104.0(3) . 27_544 ?
Zn2P Si Zn2 16.4(3) 27_544 27_544 ?
Zn2' Si Zn2 30.4(4) 27_544 27_544 ?
Zn1' Si Zn2 93.9(4) . 27_544 ?
O1 Si Zn1 82.37(12) 101 . ?
O4 Si Zn1 154.84(12) 55_454 . ?
O2B Si Zn1 80.1(5) 9 . ?
O3B Si Zn1 45.93(16) . . ?
O2A Si Zn1 85.2(3) 9 . ?
O3A Si Zn1 34.4(5) . . ?
Zn1P Si Zn1 29.56(6) . . ?
Zn2P Si Zn1 113.53(3) 27_544 . ?
Zn2' Si Zn1 104.64(13) 27_544 . ?
Zn1' Si Zn1 43.9(3) . . ?
Zn2 Si Zn1 122.69(17) 27_544 . ?
Si O1 Si 142.2(2) 115 105 ?
Si O2A Si 127.3(5) 115 5 ?
Si O2A Zn2P 116.4(2) 115 50_454 ?
Si O2A Zn2P 116.3(2) 5 50_454 ?
Si O2A Zn2' 114.3(2) 115 50_454 ?
Si O2A Zn2' 114.0(2) 5 50_454 ?
Zn2P O2A Zn2' 22.1(3) 50_454 50_454 ?
Si O2A Zn2 113.9(4) 115 50_454 ?
Si O2A Zn2 113.9(4) 5 50_454 ?
Zn2P O2A Zn2 25.0(5) 50_454 50_454 ?
Zn2' O2A Zn2 47.1(6) 50_454 50_454 ?
Si O2A Zn1' 81.7(4) 115 . ?
Si O2A Zn1' 81.6(4) 5 . ?
Zn2P O2A Zn1' 108.3(5) 50_454 . ?
Zn2' O2A Zn1' 86.3(5) 50_454 . ?
Zn2 O2A Zn1' 133.3(6) 50_454 . ?
Si O2A Zn1P 75.5(4) 115 . ?
Si O2A Zn1P 75.4(4) 5 . ?
Zn2P O2A Zn1P 123.6(4) 50_454 . ?
Zn2' O2A Zn1P 101.6(5) 50_454 . ?
Zn2 O2A Zn1P 148.6(6) 50_454 . ?
Zn1' O2A Zn1P 15.3(3) . . ?
Si O2B Si 145.3(9) 115 5 ?
Si O2B Zn2P 105.2(3) 115 50_454 ?
Si O2B Zn2P 105.3(3) 5 50_454 ?
Si O2B Zn2' 101.8(3) 115 50_454 ?
Si O2B Zn2' 101.8(3) 5 50_454 ?
Zn2P O2B Zn2' 18.6(2) 50_454 50_454 ?
Si O2B Zn2 107.2(4) 115 50_454 ?
Si O2B Zn2 107.4(4) 5 50_454 ?
Zn2P O2B Zn2 22.5(4) 50_454 50_454 ?
Zn2' O2B Zn2 41.1(6) 50_454 50_454 ?
Si O2B Zn1P 76.7(5) 115 . ?
Si O2B Zn1P 76.8(5) 5 . ?
Zn2P O2B Zn1P 111.9(4) 50_454 . ?
Zn2' O2B Zn1P 93.3(5) 50_454 . ?
Zn2 O2B Zn1P 134.5(6) 50_454 . ?
Si O2B Zn1' 80.1(5) 115 . ?
Si O2B Zn1' 80.1(5) 5 . ?
Zn2P O2B Zn1' 96.9(5) 50_454 . ?
Zn2' O2B Zn1' 78.3(5) 50_454 . ?
Zn2 O2B Zn1' 119.4(6) 50_454 . ?
Zn1P O2B Zn1' 15.0(3) . . ?
Si O3A Si 118.0(11) 115 . ?
Si O3A Zn1P 117.4(7) 115 . ?
Si O3A Zn1P 117.2(7) . . ?
Si O3A Zn1' 110.1(8) 115 . ?
Si O3A Zn1' 110.0(8) . . ?
Zn1P O3A Zn1' 21.3(4) . . ?
Si O3A Zn1 118.7(5) 115 . ?
Si O3A Zn1 118.6(5) . . ?
Zn1P O3A Zn1 48.6(5) . . ?
Zn1' O3A Zn1 69.9(7) . . ?
Si O3B Si 128.9(4) . 115 ?
Si O3B Zn1P 115.17(17) . . ?
Si O3B Zn1P 115.18(17) 115 . ?
Si O3B Zn1' 114.8(2) . . ?
Si O3B Zn1' 114.8(2) 115 . ?
Zn1P O3B Zn1' 22.1(4) . . ?
Si O3B Zn1 105.87(17) . . ?
Si O3B Zn1 105.87(17) 115 . ?
Zn1P O3B Zn1 41.40(13) . . ?
Zn1' O3B Zn1 63.5(4) . . ?
Si O4 Si 149.7(2) 167_565 34_544 ?
Si O4 Zn2P 79.32(11) 167_565 50_454 ?
Si O4 Zn2P 79.31(11) 34_544 50_454 ?
Si O4 Zn2 83.04(14) 167_565 50_454 ?
Si O4 Zn2 83.07(14) 34_544 50_454 ?
Zn2P O4 Zn2 17.6(4) 50_454 50_454 ?
Si O4 Zn2' 77.01(11) 167_565 50_454 ?
Si O4 Zn2' 76.96(11) 34_544 50_454 ?
Zn2P O4 Zn2' 14.30(19) 50_454 50_454 ?
Zn2 O4 Zn2' 31.9(4) 50_454 50_454 ?
Zn1P Zn1 Zn1P 180.0(3) . 97 ?
Zn1P Zn1 O3A 126.1(6) . 105 ?
Zn1P Zn1 O3A 53.9(6) 97 105 ?
Zn1P Zn1 O3A 53.9(6) . 9 ?
Zn1P Zn1 O3A 126.1(6) 97 9 ?
O3A Zn1 O3A 180.0(15) 105 9 ?
Zn1P Zn1 O3A 126.1(6) . 101 ?
Zn1P Zn1 O3A 53.9(6) 97 101 ?
O3A Zn1 O3A 88.8(9) 105 101 ?
O3A Zn1 O3A 91.2(9) 9 101 ?
Zn1P Zn1 O3A 53.9(6) . 5 ?
Zn1P Zn1 O3A 126.1(6) 97 5 ?
O3A Zn1 O3A 91.2(9) 105 5 ?
O3A Zn1 O3A 88.8(9) 9 5 ?
O3A Zn1 O3A 180.0(15) 101 5 ?
Zn1P Zn1 O3A 126.1(6) . 97 ?
Zn1P Zn1 O3A 53.9(6) 97 97 ?
O3A Zn1 O3A 88.8(9) 105 97 ?
O3A Zn1 O3A 91.2(9) 9 97 ?
O3A Zn1 O3A 88.8(9) 101 97 ?
O3A Zn1 O3A 91.2(9) 5 97 ?
Zn1P Zn1 O3A 53.9(6) . . ?
Zn1P Zn1 O3A 126.1(6) 97 . ?
O3A Zn1 O3A 91.2(9) 105 . ?
O3A Zn1 O3A 88.8(9) 9 . ?
O3A Zn1 O3A 91.2(9) 101 . ?
O3A Zn1 O3A 88.8(9) 5 . ?
O3A Zn1 O3A 180.0(9) 97 . ?
Zn1P Zn1 Zn1' 179.96(11) . 97 ?
Zn1P Zn1 Zn1' 0.04(11) 97 97 ?
O3A Zn1 Zn1' 53.8(6) 105 97 ?
O3A Zn1 Zn1' 126.2(6) 9 97 ?
O3A Zn1 Zn1' 53.8(6) 101 97 ?
O3A Zn1 Zn1' 126.2(6) 5 97 ?
O3A Zn1 Zn1' 53.9(6) 97 97 ?
O3A Zn1 Zn1' 126.1(6) . 97 ?
Zn1P Zn1 Zn1' 0.04(11) . . ?
Zn1P Zn1 Zn1' 179.96(11) 97 . ?
O3A Zn1 Zn1' 126.2(6) 105 . ?
O3A Zn1 Zn1' 53.8(6) 9 . ?
O3A Zn1 Zn1' 126.2(6) 101 . ?
O3A Zn1 Zn1' 53.8(6) 5 . ?
O3A Zn1 Zn1' 126.1(6) 97 . ?
O3A Zn1 Zn1' 53.9(6) . . ?
Zn1' Zn1 Zn1' 180.0(10) 97 . ?
Zn1P Zn1 O3B 49.63(14) . . ?
Zn1P Zn1 O3B 130.37(14) 97 . ?
O3A Zn1 O3B 94.3(4) 105 . ?
O3A Zn1 O3B 85.7(4) 9 . ?
O3A Zn1 O3B 94.2(4) 101 . ?
O3A Zn1 O3B 85.8(4) 5 . ?
O3A Zn1 O3B 175.8(7) 97 . ?
O3A Zn1 O3B 4.2(7) . . ?
Zn1' Zn1 O3B 130.33(14) 97 . ?
Zn1' Zn1 O3B 49.67(14) . . ?
Zn1P Zn1 O3B 130.38(14) . 105 ?
Zn1P Zn1 O3B 49.62(14) 97 105 ?
O3A Zn1 O3B 4.2(7) 105 105 ?
O3A Zn1 O3B 175.8(7) 9 105 ?
O3A Zn1 O3B 85.7(4) 101 105 ?
O3A Zn1 O3B 94.3(4) 5 105 ?
O3A Zn1 O3B 85.8(4) 97 105 ?
O3A Zn1 O3B 94.2(4) . 105 ?
Zn1' Zn1 O3B 49.60(14) 97 105 ?
Zn1' Zn1 O3B 130.40(14) . 105 ?
O3B Zn1 O3B 97.4(2) . 105 ?
Zn1' Zn1P Zn1 179.9(3) . . ?
Zn1' Zn1P O3A 102.4(6) . 9 ?
Zn1 Zn1P O3A 77.5(6) . 9 ?
Zn1' Zn1P O3A 102.4(6) . 5 ?
Zn1 Zn1P O3A 77.5(6) . 5 ?
O3A Zn1P O3A 115.5(4) 9 5 ?
Zn1' Zn1P O3A 102.6(6) . . ?
Zn1 Zn1P O3A 77.5(6) . . ?
O3A Zn1P O3A 115.5(4) 9 . ?
O3A Zn1P O3A 115.5(4) 5 . ?
Zn1' Zn1P O3B 91.14(18) . . ?
Zn1 Zn1P O3B 88.97(18) . . ?
O3A Zn1P O3B 118.91(11) 9 . ?
O3A Zn1P O3B 119.01(11) 5 . ?
O3A Zn1P O3B 11.4(5) . . ?
Zn1' Zn1P O3B 90.96(18) . 9 ?
Zn1 Zn1P O3B 88.99(18) . 9 ?
O3A Zn1P O3B 11.4(5) 9 9 ?
O3A Zn1P O3B 118.93(11) 5 9 ?
O3A Zn1P O3B 119.02(11) . 9 ?
O3B Zn1P O3B 119.963(12) . 9 ?
Zn1' Zn1P O3B 90.96(18) . 5 ?
Zn1 Zn1P O3B 88.99(18) . 5 ?
O3A Zn1P O3B 119.03(11) 9 5 ?
O3A Zn1P O3B 11.4(5) 5 5 ?
O3A Zn1P O3B 118.91(10) . 5 ?
O3B Zn1P O3B 119.963(11) . 5 ?
O3B Zn1P O3B 119.980(12) 9 5 ?
Zn1' Zn1P O2B 86.69(19) . 5 ?
Zn1 Zn1P O2B 93.19(19) . 5 ?
O3A Zn1P O2B 61.64(11) 9 5 ?
O3A Zn1P O2B 61.59(11) 5 5 ?
O3A Zn1P O2B 170.7(6) . 5 ?
O3B Zn1P O2B 177.8(3) . 5 ?
O3B Zn1P O2B 60.103(16) 9 5 ?
O3B Zn1P O2B 60.152(16) 5 5 ?
Zn1' Zn1P O2B 86.88(19) . 9 ?
Zn1 Zn1P O2B 93.18(19) . 9 ?
O3A Zn1P O2B 61.58(11) 9 9 ?
O3A Zn1P O2B 170.7(6) 5 9 ?
O3A Zn1P O2B 61.63(11) . 9 ?
O3B Zn1P O2B 60.093(15) . 9 ?
O3B Zn1P O2B 60.144(16) 9 9 ?
O3B Zn1P O2B 177.8(3) 5 9 ?
O2B Zn1P O2B 119.70(4) 5 9 ?
Zn1' Zn1P O2B 86.87(19) . . ?
Zn1 Zn1P O2B 93.18(19) . . ?
O3A Zn1P O2B 170.7(6) 9 . ?
O3A Zn1P O2B 61.64(11) 5 . ?
O3A Zn1P O2B 61.58(11) . . ?
O3B Zn1P O2B 60.142(16) . . ?
O3B Zn1P O2B 177.8(3) 9 . ?
O3B Zn1P O2B 60.095(16) 5 . ?
O2B Zn1P O2B 119.70(4) 5 . ?
O2B Zn1P O2B 119.69(4) 9 . ?
Zn1' Zn1P O2A 79.80(13) . 9 ?
Zn1 Zn1P O2A 100.26(13) . 9 ?
O3A Zn1P O2A 63.69(18) 9 9 ?
O3A Zn1P O2A 177.8(6) 5 9 ?
O3A Zn1P O2A 63.85(18) . 9 ?
O3B Zn1P O2A 60.77(4) . 9 ?
O3B Zn1P O2A 60.71(4) 9 9 ?
O3B Zn1P O2A 170.8(3) 5 9 ?
O2B Zn1P O2A 118.72(6) 5 9 ?
O2B Zn1P O2A 7.08(19) 9 9 ?
O2B Zn1P O2A 118.82(6) . 9 ?
Zn1P Zn1' O3B 66.8(4) . . ?
Zn1P Zn1' O3B 66.9(4) . 9 ?
O3B Zn1' O3B 105.6(5) . 9 ?
Zn1P Zn1' O3B 66.9(4) . 5 ?
O3B Zn1' O3B 105.6(5) . 5 ?
O3B Zn1' O3B 105.7(5) 9 5 ?
Zn1P Zn1' O3A 56.3(6) . 9 ?
O3B Zn1' O3A 99.4(6) . 9 ?
O3B Zn1' O3A 10.7(4) 9 9 ?
O3B Zn1' O3A 99.5(6) 5 9 ?
Zn1P Zn1' O3A 56.3(6) . 5 ?
O3B Zn1' O3A 99.5(6) . 5 ?
O3B Zn1' O3A 99.5(6) 9 5 ?
O3B Zn1' O3A 10.7(4) 5 5 ?
O3A Zn1' O3A 92.1(8) 9 5 ?
Zn1P Zn1' O3A 56.1(6) . . ?
O3B Zn1' O3A 10.7(4) . . ?
O3B Zn1' O3A 99.5(6) 9 . ?
O3B Zn1' O3A 99.4(6) 5 . ?
O3A Zn1' O3A 92.1(8) 9 . ?
O3A Zn1' O3A 92.1(8) 5 . ?
Zn1P Zn1' Zn1 0.1(2) . . ?
O3B Zn1' Zn1 66.9(4) . . ?
O3B Zn1' Zn1 66.9(4) 9 . ?
O3B Zn1' Zn1 66.9(4) 5 . ?
O3A Zn1' Zn1 56.2(6) 9 . ?
O3A Zn1' Zn1 56.2(6) 5 . ?
O3A Zn1' Zn1 56.2(6) . . ?
Zn1P Zn1' O2A 84.9(3) . 9 ?
O3B Zn1' O2A 60.49(9) . 9 ?
O3B Zn1' O2A 60.45(9) 9 9 ?
O3B Zn1' O2A 151.9(7) 5 9 ?
O3A Zn1' O2A 62.35(15) 9 9 ?
O3A Zn1' O2A 141.2(8) 5 9 ?
O3A Zn1' O2A 62.47(15) . 9 ?
Zn1 Zn1' O2A 84.9(3) . 9 ?
Zn1P Zn1' O2A 85.1(3) . 5 ?
O3B Zn1' O2A 151.9(7) . 5 ?
O3B Zn1' O2A 60.57(9) 9 5 ?
O3B Zn1' O2A 60.50(9) 5 5 ?
O3A Zn1' O2A 62.55(16) 9 5 ?
O3A Zn1' O2A 62.40(16) 5 5 ?
O3A Zn1' O2A 141.2(8) . 5 ?
Zn1 Zn1' O2A 85.0(3) . 5 ?
O2A Zn1' O2A 119.27(10) 9 5 ?
Zn1P Zn1' O2A 84.9(3) . . ?
O3B Zn1' O2A 60.43(9) . . ?
O3B Zn1' O2A 151.9(7) 9 . ?
O3B Zn1' O2A 60.51(9) 5 . ?
O3A Zn1' O2A 141.2(8) 9 . ?
O3A Zn1' O2A 62.49(15) 5 . ?
O3A Zn1' O2A 62.33(15) . . ?
Zn1 Zn1' O2A 84.9(3) . . ?
O2A Zn1' O2A 119.18(10) 9 . ?
O2A Zn1' O2A 119.27(10) 5 . ?
Zn1P Zn1' O2B 78.1(3) . 9 ?
O3B Zn1' O2B 57.89(11) . 9 ?
O3B Zn1' O2B 57.95(11) 9 9 ?
O3B Zn1' O2B 145.0(7) 5 9 ?
O3A Zn1' O2B 58.56(15) 9 9 ?
O3A Zn1' O2B 134.4(8) 5 9 ?
O3A Zn1' O2B 58.60(15) . 9 ?
Zn1 Zn1' O2B 78.1(3) . 9 ?
O2A Zn1' O2B 6.8(2) 9 9 ?
O2A Zn1' O2B 118.08(15) 5 9 ?
O2A Zn1' O2B 117.88(15) . 9 ?
Zn2P Zn2' Zn2 0.0(3) . . ?
Zn2P Zn2' O2A 71.8(4) . 34_544 ?
Zn2 Zn2' O2A 71.8(4) . 34_544 ?
Zn2P Zn2' O2A 71.9(4) . 78_445 ?
Zn2 Zn2' O2A 71.9(4) . 78_445 ?
O2A Zn2' O2A 110.8(4) 34_544 78_445 ?
Zn2P Zn2' O2A 71.8(4) . 50_454 ?
Zn2 Zn2' O2A 71.8(4) . 50_454 ?
O2A Zn2' O2A 110.6(4) 34_544 50_454 ?
O2A Zn2' O2A 110.8(4) 78_445 50_454 ?
Zn2P Zn2' O2B 70.6(4) . 34_544 ?
Zn2 Zn2' O2B 70.6(4) . 34_544 ?
O2A Zn2' O2B 1.1(7) 34_544 34_544 ?
O2A Zn2' O2B 110.3(3) 78_445 34_544 ?
O2A Zn2' O2B 110.0(3) 50_454 34_544 ?
Zn2P Zn2' O2B 70.8(4) . 78_445 ?
Zn2 Zn2' O2B 70.8(4) . 78_445 ?
O2A Zn2' O2B 110.1(3) 34_544 78_445 ?
O2A Zn2' O2B 1.1(7) 78_445 78_445 ?
O2A Zn2' O2B 110.3(3) 50_454 78_445 ?
O2B Zn2' O2B 109.6(4) 34_544 78_445 ?
Zn2P Zn2' O2B 70.6(4) . 50_454 ?
Zn2 Zn2' O2B 70.6(4) . 50_454 ?
O2A Zn2' O2B 110.2(3) 34_544 50_454 ?
O2A Zn2' O2B 110.1(3) 78_445 50_454 ?
O2A Zn2' O2B 1.1(7) 50_454 50_454 ?
O2B Zn2' O2B 109.6(4) 34_544 50_454 ?
O2B Zn2' O2B 109.6(4) 78_445 50_454 ?
Zn2P Zn2' O4 73.5(2) . 34_544 ?
Zn2 Zn2' O4 73.5(2) . 34_544 ?
O2A Zn2' O4 145.3(6) 34_544 34_544 ?
O2A Zn2' O4 57.01(9) 78_445 34_544 ?
O2A Zn2' O4 57.10(9) 50_454 34_544 ?
O2B Zn2' O4 144.2(6) 34_544 34_544 ?
O2B Zn2' O4 56.93(9) 78_445 34_544 ?
O2B Zn2' O4 56.86(9) 50_454 34_544 ?
Zn2P Zn2' O4 73.4(2) . 78_445 ?
Zn2 Zn2' O4 73.4(2) . 78_445 ?
O2A Zn2' O4 57.04(9) 34_544 78_445 ?
O2A Zn2' O4 145.3(6) 78_445 78_445 ?
O2A Zn2' O4 56.94(9) 50_454 78_445 ?
O2B Zn2' O4 56.81(9) 34_544 78_445 ?
O2B Zn2' O4 144.2(6) 78_445 78_445 ?
O2B Zn2' O4 56.88(9) 50_454 78_445 ?
O4 Zn2' O4 112.24(17) 34_544 78_445 ?
Zn2P Zn2' O4 73.5(2) . 50_454 ?
Zn2 Zn2' O4 73.5(2) . 50_454 ?
O2A Zn2' O4 57.00(9) 34_544 50_454 ?
O2A Zn2' O4 57.11(9) 78_445 50_454 ?
O2A Zn2' O4 145.3(6) 50_454 50_454 ?
O2B Zn2' O4 56.92(9) 34_544 50_454 ?
O2B Zn2' O4 56.87(9) 78_445 50_454 ?
O2B Zn2' O4 144.2(6) 50_454 50_454 ?
O4 Zn2' O4 112.31(17) 34_544 50_454 ?
O4 Zn2' O4 112.24(17) 78_445 50_454 ?
Zn2P Zn2' Si 79.66(19) . 160_565 ?
Zn2 Zn2' Si 79.65(19) . 160_565 ?
O2A Zn2' Si 138.7(4) 34_544 160_565 ?
O2A Zn2' Si 29.86(6) 78_445 160_565 ?
O2A Zn2' Si 86.99(12) 50_454 160_565 ?
O2B Zn2' Si 138.0(4) 34_544 160_565 ?
O2B Zn2' Si 30.17(8) 78_445 160_565 ?
O2B Zn2' Si 86.71(12) 50_454 160_565 ?
O4 Zn2' Si 29.93(3) 34_544 160_565 ?
O4 Zn2' Si 140.0(3) 78_445 160_565 ?
O4 Zn2' Si 86.94(9) 50_454 160_565 ?
Zn2' Zn2P Zn2 180.0(6) . . ?
Zn2' Zn2P O2A 86.2(3) . 34_544 ?
Zn2 Zn2P O2A 93.9(3) . 34_544 ?
Zn2' Zn2P O2A 86.0(3) . 78_445 ?
Zn2 Zn2P O2A 94.0(3) . 78_445 ?
O2A Zn2P O2A 119.55(8) 34_544 78_445 ?
Zn2' Zn2P O2A 86.2(3) . 50_454 ?
Zn2 Zn2P O2A 93.9(3) . 50_454 ?
O2A Zn2P O2A 119.53(8) 34_544 50_454 ?
O2A Zn2P O2A 119.55(8) 78_445 50_454 ?
Zn2' Zn2P O2B 90.8(4) . 34_544 ?
Zn2 Zn2P O2B 89.2(4) . 34_544 ?
O2A Zn2P O2B 4.6(6) 34_544 34_544 ?
O2A Zn2P O2B 120.07(2) 78_445 34_544 ?
O2A Zn2P O2B 119.88(2) 50_454 34_544 ?
Zn2' Zn2P O2B 90.6(4) . 78_445 ?
Zn2 Zn2P O2B 89.4(4) . 78_445 ?
O2A Zn2P O2B 119.90(2) 34_544 78_445 ?
O2A Zn2P O2B 4.6(6) 78_445 78_445 ?
O2A Zn2P O2B 120.07(2) 50_454 78_445 ?
O2B Zn2P O2B 119.989(16) 34_544 78_445 ?
Zn2' Zn2P O2B 90.8(4) . 50_454 ?
Zn2 Zn2P O2B 89.2(4) . 50_454 ?
O2A Zn2P O2B 120.05(2) 34_544 50_454 ?
O2A Zn2P O2B 119.90(2) 78_445 50_454 ?
O2A Zn2P O2B 4.6(6) 50_454 50_454 ?
O2B Zn2P O2B 119.976(16) 34_544 50_454 ?
O2B Zn2P O2B 119.989(16) 78_445 50_454 ?
Zn2' Zn2P O4 92.16(7) . 34_544 ?
Zn2 Zn2P O4 87.83(7) . 34_544 ?
O2A Zn2P O4 178.3(3) 34_544 34_544 ?
O2A Zn2P O4 60.23(3) 78_445 34_544 ?
O2A Zn2P O4 60.33(3) 50_454 34_544 ?
O2B Zn2P O4 177.1(4) 34_544 34_544 ?
O2B Zn2P O4 60.031(13) 78_445 34_544 ?
O2B Zn2P O4 59.964(14) 50_454 34_544 ?
Zn2' Zn2P O4 92.33(7) . 78_445 ?
Zn2 Zn2P O4 87.70(7) . 78_445 ?
O2A Zn2P O4 60.32(3) 34_544 78_445 ?
O2A Zn2P O4 178.3(3) 78_445 78_445 ?
O2A Zn2P O4 60.22(3) 50_454 78_445 ?
O2B Zn2P O4 59.958(14) 34_544 78_445 ?
O2B Zn2P O4 177.1(4) 78_445 78_445 ?
O2B Zn2P O4 60.023(13) 50_454 78_445 ?
O4 Zn2P O4 119.849(10) 34_544 78_445 ?
Zn2' Zn2P O4 92.16(7) . 50_454 ?
Zn2 Zn2P O4 87.83(7) . 50_454 ?
O2A Zn2P O4 60.22(3) 34_544 50_454 ?
O2A Zn2P O4 60.33(3) 78_445 50_454 ?
O2A Zn2P O4 178.3(3) 50_454 50_454 ?
O2B Zn2P O4 60.029(14) 34_544 50_454 ?
O2B Zn2P O4 59.966(14) 78_445 50_454 ?
O2B Zn2P O4 177.1(4) 50_454 50_454 ?
O4 Zn2P O4 119.859(9) 34_544 50_454 ?
O4 Zn2P O4 119.849(10) 78_445 50_454 ?
Zn2' Zn2P Si 86.32(4) . 83_445 ?
Zn2 Zn2P Si 93.65(4) . 83_445 ?
O2A Zn2P Si 89.88(2) 34_544 83_445 ?
O2A Zn2P Si 29.822(11) 78_445 83_445 ?
O2A Zn2P Si 149.00(8) 50_454 83_445 ?
O2B Zn2P Si 90.25(2) 34_544 83_445 ?
O2B Zn2P Si 30.09(5) 78_445 83_445 ?
O2B Zn2P Si 149.69(4) 50_454 83_445 ?
O4 Zn2P Si 89.974(11) 34_544 83_445 ?
O4 Zn2P Si 150.176(11) 78_445 83_445 ?
O4 Zn2P Si 30.708(16) 50_454 83_445 ?
Zn2P Zn2 Zn2' 0.0(2) . . ?
Zn2P Zn2 O2A 61.1(5) . 34_544 ?
Zn2' Zn2 O2A 61.1(5) . 34_544 ?
Zn2P Zn2 O2A 61.0(5) . 78_445 ?
Zn2' Zn2 O2A 61.0(5) . 78_445 ?
O2A Zn2 O2A 98.6(7) 34_544 78_445 ?
Zn2P Zn2 O2A 61.1(5) . 50_454 ?
Zn2' Zn2 O2A 61.1(5) . 50_454 ?
O2A Zn2 O2A 98.6(7) 34_544 50_454 ?
O2A Zn2 O2A 98.6(7) 78_445 50_454 ?
Zn2P Zn2 O2B 68.2(5) . 34_544 ?
Zn2' Zn2 O2B 68.3(5) . 34_544 ?
O2A Zn2 O2B 7.1(5) 34_544 34_544 ?
O2A Zn2 O2B 103.2(6) 78_445 34_544 ?
O2A Zn2 O2B 103.1(6) 50_454 34_544 ?
Zn2P Zn2 O2B 68.1(5) . 78_445 ?
Zn2' Zn2 O2B 68.1(5) . 78_445 ?
O2A Zn2 O2B 103.0(6) 34_544 78_445 ?
O2A Zn2 O2B 7.1(5) 78_445 78_445 ?
O2A Zn2 O2B 103.2(6) 50_454 78_445 ?
O2B Zn2 O2B 107.0(6) 34_544 78_445 ?
Zn2P Zn2 O2B 68.2(5) . 50_454 ?
Zn2' Zn2 O2B 68.3(5) . 50_454 ?
O2A Zn2 O2B 103.2(6) 34_544 50_454 ?
O2A Zn2 O2B 103.0(6) 78_445 50_454 ?
O2A Zn2 O2B 7.1(5) 50_454 50_454 ?
O2B Zn2 O2B 107.1(6) 34_544 50_454 ?
O2B Zn2 O2B 107.0(6) 78_445 50_454 ?
Zn2P Zn2 O4 74.6(4) . 34_544 ?
Zn2' Zn2 O4 74.6(4) . 34_544 ?
O2A Zn2 O4 135.7(9) 34_544 34_544 ?
O2A Zn2 O4 56.55(15) 78_445 34_544 ?
O2A Zn2 O4 56.65(15) 50_454 34_544 ?
O2B Zn2 O4 142.8(9) 34_544 34_544 ?
O2B Zn2 O4 56.91(14) 78_445 34_544 ?
O2B Zn2 O4 56.86(14) 50_454 34_544 ?
Zn2P Zn2 O4 74.7(4) . 78_445 ?
Zn2' Zn2 O4 74.7(4) . 78_445 ?
O2A Zn2 O4 56.68(15) 34_544 78_445 ?
O2A Zn2 O4 135.7(9) 78_445 78_445 ?
O2A Zn2 O4 56.58(15) 50_454 78_445 ?
O2B Zn2 O4 56.88(14) 34_544 78_445 ?
O2B Zn2 O4 142.8(9) 78_445 78_445 ?
O2B Zn2 O4 56.94(14) 50_454 78_445 ?
O4 Zn2 O4 113.2(3) 34_544 78_445 ?
Zn2P Zn2 O4 74.6(4) . 50_454 ?
Zn2' Zn2 O4 74.6(4) . 50_454 ?
O2A Zn2 O4 56.55(15) 34_544 50_454 ?
O2A Zn2 O4 56.64(15) 78_445 50_454 ?
O2A Zn2 O4 135.7(9) 50_454 50_454 ?
O2B Zn2 O4 56.92(14) 34_544 50_454 ?
O2B Zn2 O4 56.85(14) 78_445 50_454 ?
O2B Zn2 O4 142.8(9) 50_454 50_454 ?
O4 Zn2 O4 113.2(3) 34_544 50_454 ?
O4 Zn2 O4 113.2(3) 78_445 50_454 ?
Zn2P Zn2 Si 70.0(3) . 55_454 ?
Zn2' Zn2 Si 70.0(3) . 55_454 ?
O2A Zn2 Si 123.2(7) 34_544 55_454 ?
O2A Zn2 Si 80.6(3) 78_445 55_454 ?
O2A Zn2 Si 28.53(6) 50_454 55_454 ?
O2B Zn2 Si 128.9(7) 34_544 55_454 ?
O2B Zn2 Si 82.9(3) 78_445 55_454 ?
O2B Zn2 Si 27.85(7) 50_454 55_454 ?
O4 Zn2 Si 29.06(6) 34_544 55_454 ?
O4 Zn2 Si 84.7(2) 78_445 55_454 ?
O4 Zn2 Si 134.0(5) 50_454 55_454 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Si O1 1.6249(13) 101 ?
Si O4 1.6279(10) 55_454 ?
Si O2B 1.628(4) 9 ?
Si O3B 1.692(3) . ?
Si O2A 1.737(3) 9 ?
Si O3A 1.783(10) . ?
Si Zn1P 3.0868(6) . ?
Si Zn2P 3.1328(6) 27_544 ?
Si Zn2' 3.181(2) 27_544 ?
Si Zn1' 3.232(5) . ?
Si Zn2 3.326(7) 27_544 ?
Si Zn1 3.4444(6) . ?
O2A Zn2P 1.948(8) 50_454 ?
O2A Zn2' 2.047(7) 50_454 ?
O2A Zn2 2.220(14) 50_454 ?
O2A Zn1' 2.989(12) . ?
O2A Zn1P 3.025(12) . ?
O2B Zn2P 2.281(10) 50_454 ?
O2B Zn2' 2.418(10) 50_454 ?
O2B Zn2 2.456(14) 50_454 ?
O2B Zn1P 3.021(15) . ?
O2B Zn1' 3.083(15) . ?
O3A Zn1P 1.83(2) . ?
O3A Zn1' 2.15(3) . ?
O3A Zn1 2.216(18) . ?
O3B Zn1P 1.961(6) . ?
O3B Zn1' 2.133(9) . ?
O3B Zn1 2.573(5) . ?
O4 Zn2P 2.995(3) 50_454 ?
O4 Zn2 3.105(6) 50_454 ?
O4 Zn2' 3.121(4) 50_454 ?
Zn1 Zn1P 1.702(3) . ?
Zn1 Zn1P 1.702(3) 97 ?
Zn1 Zn1' 2.503(16) 97 ?
Zn1 Zn1' 2.503(16) . ?
Zn1P Zn1' 0.801(14) . ?
Zn2' Zn2P 0.771(11) . ?
Zn2' Zn2 1.71(2) . ?
Zn2P Zn2 0.94(2) . ?
