#------------------------------------------------------------------------------
#$Date: 2021-02-04 05:33:29 +0200 (Thu, 04 Feb 2021) $
#$Revision: 261505 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/99/1559933.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_1559933
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 Zn37.08'
_chemical_formula_weight         13960.79
_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                   24.7342(3)
_cell_length_b                   24.7342(3)
_cell_length_c                   24.7342(3)
_cell_measurement_temperature    100(1)
_cell_volume                     15131.9(3)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(1)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.939
_diffrn_radiation_wavelength     0.630
_diffrn_reflns_av_R_equivalents  0.0090
_diffrn_reflns_av_unetI/netI     0.0130
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.939
_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            3362
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.939
_diffrn_reflns_theta_full        22.210
_diffrn_reflns_theta_max         33.548
_diffrn_reflns_theta_min         2.064
_exptl_absorpt_coefficient_mu    1.753
_exptl_crystal_density_diffrn    1.532
_exptl_crystal_F_000             6871
_refine_diff_density_max         0.982
_refine_diff_density_min         -0.815
_refine_diff_density_rms         0.171
_refine_ls_extinction_coef       0.00037(6)
_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   1.254
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     73
_refine_ls_number_reflns         1939
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.253
_refine_ls_R_factor_all          0.0792
_refine_ls_R_factor_gt           0.0713
_refine_ls_shift/su_max          1.072
_refine_ls_shift/su_mean         0.276
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0636P)²+287.9666P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1966
_refine_ls_wR_factor_ref         0.2077
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1756
_reflns_number_total             1939
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ZnY823-3.cif
_cod_data_source_block           ZnY823-3
_cod_depositor_comments
'Adding full bibliography for 1559931--1559945.cif.'
_cod_original_cell_volume        15131.9(6)
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_database_code               1559933
_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 -0.05247(3) 0.12376(2) 0.03646(2) 0.01014(19) Uani 1 1 d . . . . .
O1 O -0.10295(11) 0.000000 0.10295(11) 0.0381(9) Uani 1 2 d S T P . .
O2A O 0.0030(3) 0.0030(3) 0.1511(4) 0.0134(12) Uani 0.5807 2 d S T P . .
O2B O -0.0060(4) -0.0060(4) 0.1427(5) 0.0156(18) Uani 0.4193 2 d S T P . .
O3A O -0.0290(11) 0.0607(6) 0.0607(6) 0.008(3) Uani 0.150(4) 2 d S T P . .
O3B O -0.0254(3) 0.07150(14) 0.07150(14) 0.0219(11) Uani 0.850(4) 2 d S T P . .
O4 O 0.07882(9) 0.07882(9) 0.31950(13) 0.0212(5) Uani 1 2 d S T P . .
Zn1 Zn 0.000000 0.000000 0.000000 0.030(2) Uani 0.150(4) 12 d S T P . .
Zn1P Zn 0.03965(8) 0.03965(8) 0.03965(8) 0.0148(6) Uani 0.348(6) 6 d S T P . .
Zn1' Zn 0.0575(6) 0.0575(6) 0.0575(6) 0.061(7) Uani 0.154(11) 6 d S T P . .
Zn2' Zn 0.2004(3) 0.2004(3) 0.2004(3) 0.017(3) Uani 0.087(5) 6 d S T . . .
Zn2P Zn 0.21781(5) 0.21781(5) 0.21781(5) 0.0101(5) Uani 0.420(5) 6 d S T . . .
Zn2 Zn 0.2409(4) 0.2409(4) 0.2409(4) 0.031(4) Uani 0.075(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
O2B Si O1 106.0(4) 9 101 ?
O2B Si O4 113.0(4) 9 55_454 ?
O1 Si O4 112.75(16) 101 55_454 ?
O2B Si O3B 105.7(6) 9 . ?
O1 Si O3B 110.2(2) 101 . ?
O4 Si O3B 108.8(2) 55_454 . ?
O2B Si O2A 12.3(4) 9 9 ?
O1 Si O2A 117.7(3) 101 9 ?
O4 Si O2A 103.3(3) 55_454 9 ?
O3B Si O2A 103.2(4) . 9 ?
O2B Si O3A 104.0(9) 9 . ?
O1 Si O3A 99.3(8) 101 . ?
O4 Si O3A 120.0(6) 55_454 . ?
O3B Si O3A 12.5(6) . . ?
O2A Si O3A 104.3(8) 9 . ?
O2B Si Zn1P 71.8(5) 9 . ?
O1 Si Zn1P 111.60(15) 101 . ?
O4 Si Zn1P 131.32(13) 55_454 . ?
O3B Si Zn1P 35.03(19) . . ?
O2A Si Zn1P 72.1(4) 9 . ?
O3A Si Zn1P 32.4(7) . . ?
O2B Si Zn2P 44.9(3) 9 27_544 ?
O1 Si Zn2P 136.97(7) 101 27_544 ?
O4 Si Zn2P 70.09(11) 55_454 27_544 ?
O3B Si Zn2P 108.7(2) . 27_544 ?
O2A Si Zn2P 33.7(2) 9 27_544 ?
O3A Si Zn2P 116.5(8) . 27_544 ?
Zn1P Si Zn2P 90.45(6) . 27_544 ?
O2B Si Zn2' 48.1(4) 9 27_544 ?
O1 Si Zn2' 149.17(18) 101 27_544 ?
O4 Si Zn2' 73.11(12) 55_454 27_544 ?
O3B Si Zn2' 95.0(3) . 27_544 ?
O2A Si Zn2' 35.9(2) 9 27_544 ?
O3A Si Zn2' 103.3(8) . 27_544 ?
Zn1P Si Zn2' 79.16(18) . 27_544 ?
Zn2P Si Zn2' 13.64(19) 27_544 27_544 ?
O2B Si Zn1' 69.7(5) 9 . ?
O1 Si Zn1' 125.2(5) 101 . ?
O4 Si Zn1' 118.9(4) 55_454 . ?
O3B Si Zn1' 36.4(2) . . ?
O2A Si Zn1' 67.0(4) 9 . ?
O3A Si Zn1' 38.6(8) . . ?
Zn1P Si Zn1' 13.7(4) . . ?
Zn2P Si Zn1' 79.6(3) 27_544 . ?
Zn2' Si Zn1' 67.4(4) 27_544 . ?
O2B Si Zn2 45.4(4) 9 27_544 ?
O1 Si Zn2 120.8(3) 101 27_544 ?
O4 Si Zn2 67.90(11) 55_454 27_544 ?
O3B Si Zn2 125.9(3) . 27_544 ?
O2A Si Zn2 37.6(3) 9 27_544 ?
O3A Si Zn2 133.2(8) . 27_544 ?
Zn1P Si Zn2 104.7(2) . 27_544 ?
Zn2P Si Zn2 17.2(3) 27_544 27_544 ?
Zn2' Si Zn2 30.9(4) 27_544 27_544 ?
Zn1' Si Zn2 95.2(4) . 27_544 ?
O2B Si Zn1 79.6(5) 9 . ?
O1 Si Zn1 82.11(13) 101 . ?
O4 Si Zn1 154.97(12) 55_454 . ?
O3B Si Zn1 46.14(17) . . ?
O2A Si Zn1 85.6(3) 9 . ?
O3A Si Zn1 35.2(6) . . ?
Zn1P Si Zn1 29.49(6) . . ?
Zn2P Si Zn1 113.53(3) 27_544 . ?
Zn2' Si Zn1 104.91(13) 27_544 . ?
Zn1' Si Zn1 43.1(4) . . ?
Zn2 Si Zn1 123.07(14) 27_544 . ?
Si O1 Si 142.7(3) 115 105 ?
Si O2A Si 126.9(4) 115 5 ?
Si O2A Zn2P 116.5(2) 115 50_454 ?
Si O2A Zn2P 116.6(2) 5 50_454 ?
Si O2A Zn2' 114.0(2) 115 50_454 ?
Si O2A Zn2' 114.2(2) 5 50_454 ?
Zn2P O2A Zn2' 21.5(3) 50_454 50_454 ?
Si O2A Zn2 114.1(3) 115 50_454 ?
Si O2A Zn2 114.1(3) 5 50_454 ?
Zn2P O2A Zn2 26.3(4) 50_454 50_454 ?
Zn2' O2A Zn2 47.9(5) 50_454 50_454 ?
Si O2A Zn1' 80.8(4) 115 . ?
Si O2A Zn1' 80.8(4) 5 . ?
Zn2P O2A Zn1' 108.8(6) 50_454 . ?
Zn2' O2A Zn1' 87.3(7) 50_454 . ?
Zn2 O2A Zn1' 135.1(7) 50_454 . ?
Si O2A Zn1P 75.0(3) 115 . ?
Si O2A Zn1P 75.0(3) 5 . ?
Zn2P O2A Zn1P 123.2(4) 50_454 . ?
Zn2' O2A Zn1P 101.7(5) 50_454 . ?
Zn2 O2A Zn1P 149.6(5) 50_454 . ?
Zn1' O2A Zn1P 14.4(5) . . ?
Si O2B Si 146.2(8) 115 5 ?
Si O2B Zn2P 105.0(3) 115 50_454 ?
Si O2B Zn2P 105.0(3) 5 50_454 ?
Si O2B Zn2' 101.8(4) 115 50_454 ?
Si O2B Zn2' 101.8(4) 5 50_454 ?
Zn2P O2B Zn2' 18.1(3) 50_454 50_454 ?
Si O2B Zn2 107.0(4) 115 50_454 ?
Si O2B Zn2 106.8(4) 5 50_454 ?
Zn2P O2B Zn2 23.5(4) 50_454 50_454 ?
Zn2' O2B Zn2 41.6(5) 50_454 50_454 ?
Si O2B Zn1P 77.3(5) 115 . ?
Si O2B Zn1P 77.2(5) 5 . ?
Zn2P O2B Zn1P 112.2(5) 50_454 . ?
Zn2' O2B Zn1P 94.1(5) 50_454 . ?
Zn2 O2B Zn1P 135.7(6) 50_454 . ?
Si O2B Zn1' 80.4(6) 115 . ?
Si O2B Zn1' 80.3(6) 5 . ?
Zn2P O2B Zn1' 97.9(7) 50_454 . ?
Zn2' O2B Zn1' 79.8(7) 50_454 . ?
Zn2 O2B Zn1' 121.4(7) 50_454 . ?
Zn1P O2B Zn1' 14.4(4) . . ?
Si O3A Si 119.5(13) 115 . ?
Si O3A Zn1P 117.0(8) 115 . ?
Si O3A Zn1P 116.9(8) . . ?
Si O3A Zn1' 110.4(9) 115 . ?
Si O3A Zn1' 110.4(9) . . ?
Zn1P O3A Zn1' 20.3(6) . . ?
Si O3A Zn1 117.9(6) 115 . ?
Si O3A Zn1 117.8(6) . . ?
Zn1P O3A Zn1 47.8(5) . . ?
Zn1' O3A Zn1 68.1(9) . . ?
Si O3B Si 128.7(4) 115 . ?
Si O3B Zn1P 115.20(19) 115 . ?
Si O3B Zn1P 115.20(19) . . ?
Si O3B Zn1' 115.2(2) 115 . ?
Si O3B Zn1' 115.2(2) . . ?
Zn1P O3B Zn1' 21.1(6) . . ?
Si O3B Zn1 105.60(18) 115 . ?
Si O3B Zn1 105.59(18) . . ?
Zn1P O3B Zn1 41.18(14) . . ?
Zn1' O3B Zn1 62.3(7) . . ?
Si O4 Si 149.3(2) 167_565 34_544 ?
Si O4 Zn2P 79.19(11) 167_565 50_454 ?
Si O4 Zn2P 79.21(11) 34_544 50_454 ?
Si O4 Zn2 83.22(13) 167_565 50_454 ?
Si O4 Zn2 83.19(13) 34_544 50_454 ?
Zn2P O4 Zn2 18.5(3) 50_454 50_454 ?
Si O4 Zn2' 76.85(11) 167_565 50_454 ?
Si O4 Zn2' 76.95(11) 34_544 50_454 ?
Zn2P O4 Zn2' 13.89(19) 50_454 50_454 ?
Zn2 O4 Zn2' 32.4(4) 50_454 50_454 ?
Zn1P Zn1 Zn1P 180.0(3) 97 . ?
Zn1P Zn1 O3A 126.1(6) 97 . ?
Zn1P Zn1 O3A 53.9(6) . . ?
Zn1P Zn1 O3A 53.9(6) 97 105 ?
Zn1P Zn1 O3A 126.1(6) . 105 ?
O3A Zn1 O3A 91.1(9) . 105 ?
Zn1P Zn1 O3A 126.1(6) 97 9 ?
Zn1P Zn1 O3A 53.9(6) . 9 ?
O3A Zn1 O3A 88.9(9) . 9 ?
O3A Zn1 O3A 180.0(16) 105 9 ?
Zn1P Zn1 O3A 53.9(6) 97 101 ?
Zn1P Zn1 O3A 126.1(6) . 101 ?
O3A Zn1 O3A 91.1(9) . 101 ?
O3A Zn1 O3A 88.9(9) 105 101 ?
O3A Zn1 O3A 91.1(9) 9 101 ?
Zn1P Zn1 O3A 126.1(6) 97 5 ?
Zn1P Zn1 O3A 53.9(6) . 5 ?
O3A Zn1 O3A 88.9(9) . 5 ?
O3A Zn1 O3A 91.1(9) 105 5 ?
O3A Zn1 O3A 88.9(9) 9 5 ?
O3A Zn1 O3A 180.0(16) 101 5 ?
Zn1P Zn1 O3A 53.9(6) 97 97 ?
Zn1P Zn1 O3A 126.1(6) . 97 ?
O3A Zn1 O3A 180.0 . 97 ?
O3A Zn1 O3A 88.9(9) 105 97 ?
O3A Zn1 O3A 91.1(9) 9 97 ?
O3A Zn1 O3A 88.9(9) 101 97 ?
O3A Zn1 O3A 91.1(9) 5 97 ?
Zn1P Zn1 Zn1' 179.97(19) 97 . ?
Zn1P Zn1 Zn1' 0.03(19) . . ?
O3A Zn1 Zn1' 54.0(6) . . ?
O3A Zn1 Zn1' 126.1(6) 105 . ?
O3A Zn1 Zn1' 53.9(6) 9 . ?
O3A Zn1 Zn1' 126.1(6) 101 . ?
O3A Zn1 Zn1' 53.9(6) 5 . ?
O3A Zn1 Zn1' 126.0(6) 97 . ?
Zn1P Zn1 Zn1' 0.03(19) 97 97 ?
Zn1P Zn1 Zn1' 179.97(19) . 97 ?
O3A Zn1 Zn1' 126.0(6) . 97 ?
O3A Zn1 Zn1' 53.9(6) 105 97 ?
O3A Zn1 Zn1' 126.1(6) 9 97 ?
O3A Zn1 Zn1' 53.9(6) 101 97 ?
O3A Zn1 Zn1' 126.1(6) 5 97 ?
O3A Zn1 Zn1' 54.0(6) 97 97 ?
Zn1' Zn1 Zn1' 180.0(17) . 97 ?
Zn1P Zn1 O3B 130.61(15) 97 . ?
Zn1P Zn1 O3B 49.39(15) . . ?
O3A Zn1 O3B 4.5(8) . . ?
O3A Zn1 O3B 94.4(4) 105 . ?
O3A Zn1 O3B 85.6(4) 9 . ?
O3A Zn1 O3B 94.4(4) 101 . ?
O3A Zn1 O3B 85.6(4) 5 . ?
O3A Zn1 O3B 175.5(8) 97 . ?
Zn1' Zn1 O3B 49.43(15) . . ?
Zn1' Zn1 O3B 130.57(15) 97 . ?
Zn1P Zn1 O3B 49.38(15) 97 105 ?
Zn1P Zn1 O3B 130.62(15) . 105 ?
O3A Zn1 O3B 94.4(4) . 105 ?
O3A Zn1 O3B 4.6(8) 105 105 ?
O3A Zn1 O3B 175.4(8) 9 105 ?
O3A Zn1 O3B 85.6(4) 101 105 ?
O3A Zn1 O3B 94.4(4) 5 105 ?
O3A Zn1 O3B 85.6(4) 97 105 ?
Zn1' Zn1 O3B 130.64(15) . 105 ?
Zn1' Zn1 O3B 49.36(15) 97 105 ?
O3B Zn1 O3B 97.8(2) . 105 ?
Zn1' Zn1P Zn1 179.9(6) . . ?
Zn1' Zn1P O3A 101.7(6) . 9 ?
Zn1 Zn1P O3A 78.3(6) . 9 ?
Zn1' Zn1P O3A 101.7(6) . 5 ?
Zn1 Zn1P O3A 78.3(6) . 5 ?
O3A Zn1P O3A 116.0(4) 9 5 ?
Zn1' Zn1P O3A 101.9(6) . . ?
Zn1 Zn1P O3A 78.2(6) . . ?
O3A Zn1P O3A 116.0(4) 9 . ?
O3A Zn1P O3A 116.0(4) 5 . ?
Zn1' Zn1P O3B 90.7(2) . . ?
Zn1 Zn1P O3B 89.4(2) . . ?
O3A Zn1P O3B 119.13(10) 9 . ?
O3A Zn1P O3B 119.21(10) 5 . ?
O3A Zn1P O3B 11.2(6) . . ?
Zn1' Zn1P O3B 90.5(2) . 9 ?
Zn1 Zn1P O3B 89.4(2) . 9 ?
O3A Zn1P O3B 11.2(6) 9 9 ?
O3A Zn1P O3B 119.15(10) 5 9 ?
O3A Zn1P O3B 119.21(10) . 9 ?
O3B Zn1P O3B 119.985(7) . 9 ?
Zn1' Zn1P O3B 90.5(2) . 5 ?
Zn1 Zn1P O3B 89.4(2) . 5 ?
O3A Zn1P O3B 119.23(10) 9 5 ?
O3A Zn1P O3B 11.2(6) 5 5 ?
O3A Zn1P O3B 119.13(10) . 5 ?
O3B Zn1P O3B 119.985(7) . 5 ?
O3B Zn1P O3B 120.001(7) 9 5 ?
Zn1' Zn1P O2B 86.9(2) . 9 ?
Zn1 Zn1P O2B 93.2(2) . 9 ?
O3A Zn1P O2B 61.42(12) 9 9 ?
O3A Zn1P O2B 171.5(7) 5 9 ?
O3A Zn1P O2B 61.54(12) . 9 ?
O3B Zn1P O2B 60.113(15) . 9 ?
O3B Zn1P O2B 60.061(15) 9 9 ?
O3B Zn1P O2B 177.4(3) 5 9 ?
Zn1' Zn1P O2B 86.7(2) . 5 ?
Zn1 Zn1P O2B 93.2(2) . 5 ?
O3A Zn1P O2B 61.55(12) 9 5 ?
O3A Zn1P O2B 61.43(12) 5 5 ?
O3A Zn1P O2B 171.5(7) . 5 ?
O3B Zn1P O2B 177.4(3) . 5 ?
O3B Zn1P O2B 60.122(15) 9 5 ?
O3B Zn1P O2B 60.068(15) 5 5 ?
O2B Zn1P O2B 119.69(4) 9 5 ?
Zn1' Zn1P O2B 86.9(2) . . ?
Zn1 Zn1P O2B 93.2(2) . . ?
O3A Zn1P O2B 171.5(7) 9 . ?
O3A Zn1P O2B 61.55(12) 5 . ?
O3A Zn1P O2B 61.42(12) . . ?
O3B Zn1P O2B 60.060(16) . . ?
O3B Zn1P O2B 177.4(3) 9 . ?
O3B Zn1P O2B 60.115(15) 5 . ?
O2B Zn1P O2B 119.68(4) 9 . ?
O2B Zn1P O2B 119.69(4) 5 . ?
Zn1' Zn1P O2A 79.76(14) . 9 ?
Zn1 Zn1P O2A 100.30(14) . 9 ?
O3A Zn1P O2A 63.5(2) 9 9 ?
O3A Zn1P O2A 178.6(7) 5 9 ?
O3A Zn1P O2A 63.6(2) . 9 ?
O3B Zn1P O2A 60.63(4) . 9 ?
O3B Zn1P O2A 60.66(4) 9 9 ?
O3B Zn1P O2A 170.3(3) 5 9 ?
O2B Zn1P O2A 7.1(2) 9 9 ?
O2B Zn1P O2A 118.81(6) 5 9 ?
O2B Zn1P O2A 118.72(6) . 9 ?
Zn1P Zn1' O3B 68.3(7) . 9 ?
Zn1P Zn1' O3B 68.3(7) . 5 ?
O3B Zn1' O3B 107.2(7) 9 5 ?
Zn1P Zn1' O3B 68.2(7) . . ?
O3B Zn1' O3B 107.1(7) 9 . ?
O3B Zn1' O3B 107.1(7) 5 . ?
Zn1P Zn1' O3A 58.0(8) . 9 ?
O3B Zn1' O3A 10.4(5) 9 9 ?
O3B Zn1' O3A 101.4(9) 5 9 ?
O3B Zn1' O3A 101.3(9) . 9 ?
Zn1P Zn1' O3A 58.0(8) . 5 ?
O3B Zn1' O3A 101.4(9) 9 5 ?
O3B Zn1' O3A 10.4(5) 5 5 ?
O3B Zn1' O3A 101.4(9) . 5 ?
O3A Zn1' O3A 94.4(11) 9 5 ?
Zn1P Zn1' O3A 57.8(8) . . ?
O3B Zn1' O3A 101.4(9) 9 . ?
O3B Zn1' O3A 101.3(9) 5 . ?
O3B Zn1' O3A 10.4(5) . . ?
O3A Zn1' O3A 94.4(11) 9 . ?
O3A Zn1' O3A 94.4(11) 5 . ?
Zn1P Zn1' Zn1 0.1(4) . . ?
O3B Zn1' Zn1 68.3(7) 9 . ?
O3B Zn1' Zn1 68.3(7) 5 . ?
O3B Zn1' Zn1 68.3(7) . . ?
O3A Zn1' Zn1 57.9(8) 9 . ?
O3A Zn1' Zn1 57.9(8) 5 . ?
O3A Zn1' Zn1 57.9(8) . . ?
Zn1P Zn1' O2A 85.8(5) . 9 ?
O3B Zn1' O2A 60.66(11) 9 9 ?
O3B Zn1' O2A 154.1(12) 5 9 ?
O3B Zn1' O2A 60.61(11) . 9 ?
O3A Zn1' O2A 62.52(19) 9 9 ?
O3A Zn1' O2A 143.7(12) 5 9 ?
O3A Zn1' O2A 62.55(19) . 9 ?
Zn1 Zn1' O2A 85.8(5) . 9 ?
Zn1P Zn1' O2A 86.0(5) . 5 ?
O3B Zn1' O2A 60.68(11) 9 5 ?
O3B Zn1' O2A 60.71(11) 5 5 ?
O3B Zn1' O2A 154.1(12) . 5 ?
O3A Zn1' O2A 62.61(19) 9 5 ?
O3A Zn1' O2A 62.57(19) 5 5 ?
O3A Zn1' O2A 143.8(12) . 5 ?
Zn1 Zn1' O2A 85.9(5) . 5 ?
O2A Zn1' O2A 119.51(12) 9 5 ?
Zn1P Zn1' O2A 85.8(5) . . ?
O3B Zn1' O2A 154.1(12) 9 . ?
O3B Zn1' O2A 60.63(11) 5 . ?
O3B Zn1' O2A 60.64(11) . . ?
O3A Zn1' O2A 143.7(12) 9 . ?
O3A Zn1' O2A 62.56(19) 5 . ?
O3A Zn1' O2A 62.50(19) . . ?
Zn1 Zn1' O2A 85.8(5) . . ?
O2A Zn1' O2A 119.42(12) 9 . ?
O2A Zn1' O2A 119.51(12) 5 . ?
Zn1P Zn1' O2B 78.8(5) . 9 ?
O3B Zn1' O2B 58.13(16) 9 9 ?
O3B Zn1' O2B 147.1(12) 5 9 ?
O3B Zn1' O2B 58.17(16) . 9 ?
O3A Zn1' O2B 58.7(2) 9 9 ?
O3A Zn1' O2B 136.7(12) 5 9 ?
O3A Zn1' O2B 58.8(2) . 9 ?
Zn1 Zn1' O2B 78.8(5) . 9 ?
O2A Zn1' O2B 7.01(19) 9 9 ?
O2A Zn1' O2B 118.4(2) 5 9 ?
O2A Zn1' O2B 118.4(2) . 9 ?
Zn2P Zn2' Zn2 0.1(2) . . ?
Zn2P Zn2' O2A 72.0(4) . 34_544 ?
Zn2 Zn2' O2A 72.0(4) . 34_544 ?
Zn2P Zn2' O2A 71.8(4) . 78_445 ?
Zn2 Zn2' O2A 71.8(4) . 78_445 ?
O2A Zn2' O2A 110.8(4) 34_544 78_445 ?
Zn2P Zn2' O2A 72.0(4) . 50_454 ?
Zn2 Zn2' O2A 72.0(4) . 50_454 ?
O2A Zn2' O2A 111.0(4) 34_544 50_454 ?
O2A Zn2' O2A 110.8(4) 78_445 50_454 ?
Zn2P Zn2' O2B 71.5(4) . 50_454 ?
Zn2 Zn2' O2B 71.5(4) . 50_454 ?
O2A Zn2' O2B 110.7(3) 34_544 50_454 ?
O2A Zn2' O2B 110.6(3) 78_445 50_454 ?
O2A Zn2' O2B 0.5(7) 50_454 50_454 ?
Zn2P Zn2' O2B 71.3(4) . 78_445 ?
Zn2 Zn2' O2B 71.3(4) . 78_445 ?
O2A Zn2' O2B 110.6(3) 34_544 78_445 ?
O2A Zn2' O2B 0.5(7) 78_445 78_445 ?
O2A Zn2' O2B 110.5(3) 50_454 78_445 ?
O2B Zn2' O2B 110.3(4) 50_454 78_445 ?
Zn2P Zn2' O2B 71.5(4) . 34_544 ?
Zn2 Zn2' O2B 71.5(4) . 34_544 ?
O2A Zn2' O2B 0.5(7) 34_544 34_544 ?
O2A Zn2' O2B 110.5(3) 78_445 34_544 ?
O2A Zn2' O2B 110.8(3) 50_454 34_544 ?
O2B Zn2' O2B 110.5(4) 50_454 34_544 ?
O2B Zn2' O2B 110.3(4) 78_445 34_544 ?
Zn2P Zn2' O4 73.7(2) . 34_544 ?
Zn2 Zn2' O4 73.7(2) . 34_544 ?
O2A Zn2' O4 145.7(6) 34_544 34_544 ?
O2A Zn2' O4 57.10(9) 78_445 34_544 ?
O2A Zn2' O4 57.06(9) 50_454 34_544 ?
O2B Zn2' O4 57.06(9) 50_454 34_544 ?
O2B Zn2' O4 56.98(9) 78_445 34_544 ?
O2B Zn2' O4 145.2(6) 34_544 34_544 ?
Zn2P Zn2' O4 73.7(2) . 50_454 ?
Zn2 Zn2' O4 73.7(2) . 50_454 ?
O2A Zn2' O4 57.11(9) 34_544 50_454 ?
O2A Zn2' O4 57.04(9) 78_445 50_454 ?
O2A Zn2' O4 145.7(6) 50_454 50_454 ?
O2B Zn2' O4 145.2(6) 50_454 50_454 ?
O2B Zn2' O4 57.03(9) 78_445 50_454 ?
O2B Zn2' O4 57.01(9) 34_544 50_454 ?
O4 Zn2' O4 112.45(18) 34_544 50_454 ?
Zn2P Zn2' O4 74.0(2) . 78_445 ?
Zn2 Zn2' O4 73.9(2) . 78_445 ?
O2A Zn2' O4 57.16(9) 34_544 78_445 ?
O2A Zn2' O4 145.8(6) 78_445 78_445 ?
O2A Zn2' O4 57.21(9) 50_454 78_445 ?
O2B Zn2' O4 57.08(9) 50_454 78_445 ?
O2B Zn2' O4 145.3(6) 78_445 78_445 ?
O2B Zn2' O4 57.13(9) 34_544 78_445 ?
O4 Zn2' O4 112.57(18) 34_544 78_445 ?
O4 Zn2' O4 112.57(18) 50_454 78_445 ?
Zn2P Zn2' Si 79.8(2) . 83_445 ?
Zn2 Zn2' Si 79.8(2) . 83_445 ?
O2A Zn2' Si 87.02(12) 34_544 83_445 ?
O2A Zn2' Si 29.93(6) 78_445 83_445 ?
O2A Zn2' Si 139.0(4) 50_454 83_445 ?
O2B Zn2' Si 138.7(4) 50_454 83_445 ?
O2B Zn2' Si 30.09(8) 78_445 83_445 ?
O2B Zn2' Si 86.89(12) 34_544 83_445 ?
O4 Zn2' Si 86.99(9) 34_544 83_445 ?
O4 Zn2' Si 29.94(3) 50_454 83_445 ?
O4 Zn2' Si 140.5(3) 78_445 83_445 ?
Zn2' Zn2P Zn2 179.9(4) . . ?
Zn2' Zn2P O2A 86.4(3) . 34_544 ?
Zn2 Zn2P O2A 93.5(3) . 34_544 ?
Zn2' Zn2P O2A 86.7(3) . 78_445 ?
Zn2 Zn2P O2A 93.4(3) . 78_445 ?
O2A Zn2P O2A 119.62(7) 34_544 78_445 ?
Zn2' Zn2P O2A 86.4(3) . 50_454 ?
Zn2 Zn2P O2A 93.5(3) . 50_454 ?
O2A Zn2P O2A 119.66(7) 34_544 50_454 ?
O2A Zn2P O2A 119.62(7) 78_445 50_454 ?
Zn2' Zn2P O2B 90.4(4) . 34_544 ?
Zn2 Zn2P O2B 89.6(4) . 34_544 ?
O2A Zn2P O2B 3.9(7) 34_544 34_544 ?
O2A Zn2P O2B 119.90(2) 78_445 34_544 ?
O2A Zn2P O2B 120.05(2) 50_454 34_544 ?
Zn2' Zn2P O2B 90.7(4) . 78_445 ?
Zn2 Zn2P O2B 89.4(4) . 78_445 ?
O2A Zn2P O2B 120.01(2) 34_544 78_445 ?
O2A Zn2P O2B 3.9(7) 78_445 78_445 ?
O2A Zn2P O2B 119.90(2) 50_454 78_445 ?
O2B Zn2P O2B 119.984(12) 34_544 78_445 ?
Zn2' Zn2P O2B 90.4(4) . 50_454 ?
Zn2 Zn2P O2B 89.6(4) . 50_454 ?
O2A Zn2P O2B 119.93(2) 34_544 50_454 ?
O2A Zn2P O2B 120.02(2) 78_445 50_454 ?
O2A Zn2P O2B 3.9(7) 50_454 50_454 ?
O2B Zn2P O2B 120.014(11) 34_544 50_454 ?
O2B Zn2P O2B 119.984(11) 78_445 50_454 ?
Zn2' Zn2P O4 92.42(7) . 34_544 ?
Zn2 Zn2P O4 87.63(7) . 34_544 ?
O2A Zn2P O4 178.8(4) 34_544 34_544 ?
O2A Zn2P O4 60.27(3) 78_445 34_544 ?
O2A Zn2P O4 60.22(3) 50_454 34_544 ?
O2B Zn2P O4 177.2(4) 34_544 34_544 ?
O2B Zn2P O4 59.971(16) 78_445 34_544 ?
O2B Zn2P O4 60.032(17) 50_454 34_544 ?
Zn2' Zn2P O4 92.11(7) . 78_445 ?
Zn2 Zn2P O4 87.79(7) . 78_445 ?
O2A Zn2P O4 60.23(3) 34_544 78_445 ?
O2A Zn2P O4 178.8(4) 78_445 78_445 ?
O2A Zn2P O4 60.29(3) 50_454 78_445 ?
O2B Zn2P O4 60.045(16) 34_544 78_445 ?
O2B Zn2P O4 177.2(4) 78_445 78_445 ?
O2B Zn2P O4 59.989(16) 50_454 78_445 ?
O4 Zn2P O4 119.846(10) 34_544 78_445 ?
Zn2' Zn2P O4 92.42(7) . 50_454 ?
Zn2 Zn2P O4 87.63(7) . 50_454 ?
O2A Zn2P O4 60.28(3) 34_544 50_454 ?
O2A Zn2P O4 60.21(3) 78_445 50_454 ?
O2A Zn2P O4 178.8(4) 50_454 50_454 ?
O2B Zn2P O4 59.977(17) 34_544 50_454 ?
O2B Zn2P O4 60.027(17) 78_445 50_454 ?
O2B Zn2P O4 177.2(4) 50_454 50_454 ?
O4 Zn2P O4 119.823(10) 34_544 50_454 ?
O4 Zn2P O4 119.846(10) 78_445 50_454 ?
Zn2' Zn2P Si 86.62(4) . 83_445 ?
Zn2 Zn2P Si 93.47(4) . 83_445 ?
O2A Zn2P Si 89.96(2) 34_544 83_445 ?
O2A Zn2P Si 29.757(13) 78_445 83_445 ?
O2A Zn2P Si 149.01(8) 50_454 83_445 ?
O2B Zn2P Si 90.15(3) 34_544 83_445 ?
O2B Zn2P Si 30.12(5) 78_445 83_445 ?
O2B Zn2P Si 149.72(5) 50_454 83_445 ?
O4 Zn2P Si 89.981(12) 34_544 83_445 ?
O4 Zn2P Si 150.170(12) 78_445 83_445 ?
O4 Zn2P Si 30.700(16) 50_454 83_445 ?
Zn2P Zn2 Zn2' 0.04(18) . . ?
Zn2P Zn2 O2A 60.2(4) . 34_544 ?
Zn2' Zn2 O2A 60.1(4) . 34_544 ?
Zn2P Zn2 O2A 60.3(5) . 78_445 ?
Zn2' Zn2 O2A 60.3(5) . 78_445 ?
O2A Zn2 O2A 97.5(6) 34_544 78_445 ?
Zn2P Zn2 O2A 60.2(4) . 50_454 ?
Zn2' Zn2 O2A 60.1(4) . 50_454 ?
O2A Zn2 O2A 97.4(6) 34_544 50_454 ?
O2A Zn2 O2A 97.5(6) 78_445 50_454 ?
Zn2P Zn2 O2B 67.0(5) . 78_445 ?
Zn2' Zn2 O2B 67.1(5) . 78_445 ?
O2A Zn2 O2B 101.9(5) 34_544 78_445 ?
O2A Zn2 O2B 6.8(5) 78_445 78_445 ?
O2A Zn2 O2B 101.8(5) 50_454 78_445 ?
Zn2P Zn2 O2B 66.9(5) . 34_544 ?
Zn2' Zn2 O2B 66.9(5) . 34_544 ?
O2A Zn2 O2B 6.7(5) 34_544 34_544 ?
O2A Zn2 O2B 101.8(5) 78_445 34_544 ?
O2A Zn2 O2B 101.8(5) 50_454 34_544 ?
O2B Zn2 O2B 105.7(5) 78_445 34_544 ?
Zn2P Zn2 O2B 66.9(5) . 50_454 ?
Zn2' Zn2 O2B 66.9(5) . 50_454 ?
O2A Zn2 O2B 101.7(5) 34_544 50_454 ?
O2A Zn2 O2B 101.9(5) 78_445 50_454 ?
O2A Zn2 O2B 6.7(5) 50_454 50_454 ?
O2B Zn2 O2B 105.7(5) 78_445 50_454 ?
O2B Zn2 O2B 105.6(5) 34_544 50_454 ?
Zn2P Zn2 O4 73.8(3) . 34_544 ?
Zn2' Zn2 O4 73.9(3) . 34_544 ?
O2A Zn2 O4 134.0(7) 34_544 34_544 ?
O2A Zn2 O4 56.30(13) 78_445 34_544 ?
O2A Zn2 O4 56.24(13) 50_454 34_544 ?
O2B Zn2 O4 56.55(12) 78_445 34_544 ?
O2B Zn2 O4 140.7(7) 34_544 34_544 ?
O2B Zn2 O4 56.59(12) 50_454 34_544 ?
Zn2P Zn2 O4 73.7(3) . 78_445 ?
Zn2' Zn2 O4 73.6(3) . 78_445 ?
O2A Zn2 O4 56.21(13) 34_544 78_445 ?
O2A Zn2 O4 134.0(7) 78_445 78_445 ?
O2A Zn2 O4 56.26(13) 50_454 78_445 ?
O2B Zn2 O4 140.7(7) 78_445 78_445 ?
O2B Zn2 O4 56.56(12) 34_544 78_445 ?
O2B Zn2 O4 56.51(12) 50_454 78_445 ?
O4 Zn2 O4 112.5(3) 34_544 78_445 ?
Zn2P Zn2 O4 73.8(3) . 50_454 ?
Zn2' Zn2 O4 73.9(3) . 50_454 ?
O2A Zn2 O4 56.30(13) 34_544 50_454 ?
O2A Zn2 O4 56.25(13) 78_445 50_454 ?
O2A Zn2 O4 134.0(7) 50_454 50_454 ?
O2B Zn2 O4 56.60(12) 78_445 50_454 ?
O2B Zn2 O4 56.54(12) 34_544 50_454 ?
O2B Zn2 O4 140.7(7) 50_454 50_454 ?
O4 Zn2 O4 112.6(3) 34_544 50_454 ?
O4 Zn2 O4 112.5(3) 78_445 50_454 ?
Zn2P Zn2 Si 69.3(3) . 83_445 ?
Zn2' Zn2 Si 69.3(3) . 83_445 ?
O2A Zn2 Si 80.0(3) 34_544 83_445 ?
O2A Zn2 Si 28.34(6) 78_445 83_445 ?
O2A Zn2 Si 121.7(6) 50_454 83_445 ?
O2B Zn2 Si 27.77(6) 78_445 83_445 ?
O2B Zn2 Si 82.1(2) 34_544 83_445 ?
O2B Zn2 Si 127.3(6) 50_454 83_445 ?
O4 Zn2 Si 84.20(18) 34_544 83_445 ?
O4 Zn2 Si 132.8(4) 78_445 83_445 ?
O4 Zn2 Si 28.92(6) 50_454 83_445 ?
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 O2B 1.627(4) 9 ?
Si O1 1.6244(14) 101 ?
Si O4 1.6278(10) 55_454 ?
Si O3B 1.694(3) . ?
Si O2A 1.738(3) 9 ?
Si O3A 1.769(11) . ?
Si Zn1P 3.0866(7) . ?
Si Zn2P 3.1312(6) 27_544 ?
Si Zn2' 3.172(2) 27_544 ?
Si Zn1' 3.218(7) . ?
Si Zn2 3.344(6) 27_544 ?
Si Zn1 3.4451(6) . ?
O2A Zn2P 1.942(7) 50_454 ?
O2A Zn2' 2.037(7) 50_454 ?
O2A Zn2 2.234(12) 50_454 ?
O2A Zn1' 3.000(12) . ?
O2A Zn1P 3.040(11) . ?
O2B Zn2P 2.288(10) 50_454 ?
O2B Zn2' 2.412(11) 50_454 ?
O2B Zn2 2.488(14) 50_454 ?
O2B Zn1P 3.007(15) . ?
O2B Zn1' 3.061(16) . ?
O3A Zn1P 1.85(3) . ?
O3A Zn1' 2.14(3) . ?
O3A Zn1 2.24(2) . ?
O3B Zn1P 1.958(6) . ?
O3B Zn1' 2.109(12) . ?
O3B Zn1 2.579(5) . ?
O4 Zn2P 2.998(3) 50_454 ?
O4 Zn2 3.119(6) 50_454 ?
O4 Zn2' 3.121(4) 50_454 ?
Zn1 Zn1P 1.698(3) 97 ?
Zn1 Zn1P 1.698(3) . ?
Zn1 Zn1' 2.46(3) . ?
Zn1 Zn1' 2.46(3) 97 ?
Zn1P Zn1' 0.76(2) . ?
Zn2' Zn2P 0.749(11) . ?
Zn2' Zn2 1.74(2) . ?
Zn2P Zn2 0.992(17) . ?
