#------------------------------------------------------------------------------
#$Date: 2021-02-04 05:33:29 +0200 (Thu, 04 Feb 2021) $
#$Revision: 261505 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/99/1559944.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_1559944
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 Zn36.82'
_chemical_formula_weight         13943.79
_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                   24.7430(3)
_cell_length_b                   24.7430(3)
_cell_length_c                   24.7430(3)
_cell_measurement_temperature    100(1)
_cell_volume                     15148.1(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 0.958
_diffrn_radiation_wavelength     0.630
_diffrn_reflns_av_R_equivalents  0.0099
_diffrn_reflns_av_unetI/netI     0.0140
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.958
_diffrn_reflns_limit_h_max       43
_diffrn_reflns_limit_h_min       2
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3430
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.958
_diffrn_reflns_theta_full        22.210
_diffrn_reflns_theta_max         33.534
_diffrn_reflns_theta_min         2.064
_exptl_absorpt_coefficient_mu    1.741
_exptl_crystal_density_diffrn    1.529
_exptl_crystal_F_000             6863
_refine_diff_density_max         1.110
_refine_diff_density_min         -0.667
_refine_diff_density_rms         0.156
_refine_ls_extinction_coef       0.00032(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   1.194
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     72
_refine_ls_number_reflns         1978
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.193
_refine_ls_R_factor_all          0.0725
_refine_ls_R_factor_gt           0.0660
_refine_ls_shift/su_max          0.618
_refine_ls_shift/su_mean         0.135
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0706P)²+248.6814P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1929
_refine_ls_wR_factor_ref         0.1963
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1777
_reflns_number_total             1978
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ZnY823-1.cif
_cod_data_source_block           ZnY823-1
_cod_depositor_comments
'Adding full bibliography for 1559931--1559945.cif.'
_cod_original_cell_volume        15148.1(6)
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_database_code               1559944
_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(2) 0.12378(2) 0.03644(2) 0.00882(17) Uani 1 1 d . . . . .
O1 O -0.10304(10) 0.000000 0.10304(10) 0.0363(8) Uani 1 2 d S T P . .
O2A O 0.0030(2) 0.0030(2) 0.1506(4) 0.0127(11) Uani 0.5788 2 d S T P . .
O2B O -0.0062(3) -0.0062(3) 0.1427(5) 0.0149(16) Uani 0.4212 2 d S T P . .
O3A O -0.0287(11) 0.0610(6) 0.0610(6) 0.010(3) Uani 0.154(4) 2 d S T P . .
O3B O -0.0256(3) 0.07135(13) 0.07135(13) 0.0202(9) Uani 0.846(4) 2 d S T P . .
O4 O 0.07876(8) 0.07876(8) 0.31940(11) 0.0203(5) Uani 1 2 d S T P . .
Zn1 Zn 0.000000 0.000000 0.000000 0.0299(19) Uani 0.154(4) 12 d S T P . .
Zn1P Zn 0.03955(7) 0.03955(7) 0.03955(7) 0.0131(5) Uani 0.352(6) 6 d S T P . .
Zn1' Zn 0.0552(6) 0.0552(6) 0.0552(6) 0.055(6) Uani 0.142(10) 6 d S T P . .
Zn2' Zn 0.2006(3) 0.2006(3) 0.2006(3) 0.012(3) Uani 0.068(4) 6 d S T . . .
Zn2P Zn 0.21771(4) 0.21771(4) 0.21771(4) 0.0090(4) Uani 0.430(4) 6 d S T . . .
Zn2 Zn 0.2420(3) 0.2420(3) 0.2420(3) 0.024(3) Uani 0.081(4) 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 O2B 105.9(3) 101 9 ?
O1 Si O4 112.77(14) 101 55_454 ?
O2B Si O4 113.0(4) 9 55_454 ?
O1 Si O3B 110.1(2) 101 . ?
O2B Si O3B 105.9(5) 9 . ?
O4 Si O3B 108.97(19) 55_454 . ?
O1 Si O2A 117.8(2) 101 9 ?
O2B Si O2A 12.3(3) 9 9 ?
O4 Si O2A 103.5(2) 55_454 9 ?
O3B Si O2A 102.9(4) . 9 ?
O1 Si O3A 99.6(7) 101 . ?
O2B Si O3A 103.8(9) 9 . ?
O4 Si O3A 120.1(6) 55_454 . ?
O3B Si O3A 12.2(6) . . ?
O2A Si O3A 103.5(8) 9 . ?
O1 Si Zn1P 111.60(13) 101 . ?
O2B Si Zn1P 72.0(5) 9 . ?
O4 Si Zn1P 131.33(11) 55_454 . ?
O3B Si Zn1P 35.03(18) . . ?
O2A Si Zn1P 71.7(3) 9 . ?
O3A Si Zn1P 32.1(8) . . ?
O1 Si Zn2P 137.02(6) 101 27_544 ?
O2B Si Zn2P 45.0(3) 9 27_544 ?
O4 Si Zn2P 70.00(10) 55_454 27_544 ?
O3B Si Zn2P 108.7(2) . 27_544 ?
O2A Si Zn2P 33.97(19) 9 27_544 ?
O3A Si Zn2P 116.1(8) . 27_544 ?
Zn1P Si Zn2P 90.44(5) . 27_544 ?
O1 Si Zn2' 148.99(18) 101 27_544 ?
O2B Si Zn2' 48.2(3) 9 27_544 ?
O4 Si Zn2' 72.96(11) 55_454 27_544 ?
O3B Si Zn2' 95.4(3) . 27_544 ?
O2A Si Zn2' 35.95(18) 9 27_544 ?
O3A Si Zn2' 103.1(8) . 27_544 ?
Zn1P Si Zn2' 79.36(18) . 27_544 ?
Zn2P Si Zn2' 13.38(19) 27_544 27_544 ?
O1 Si Zn1' 123.7(5) 101 . ?
O2B Si Zn1' 70.0(5) 9 . ?
O4 Si Zn1' 120.3(4) 55_454 . ?
O3B Si Zn1' 36.0(2) . . ?
O2A Si Zn1' 67.1(4) 9 . ?
O3A Si Zn1' 37.4(8) . . ?
Zn1P Si Zn1' 12.1(4) . . ?
Zn2P Si Zn1' 80.8(4) 27_544 . ?
Zn2' Si Zn1' 68.9(4) 27_544 . ?
O1 Si Zn2 120.08(19) 101 27_544 ?
O2B Si Zn2 45.6(4) 9 27_544 ?
O4 Si Zn2 67.74(10) 55_454 27_544 ?
O3B Si Zn2 126.7(3) . 27_544 ?
O2A Si Zn2 38.3(3) 9 27_544 ?
O3A Si Zn2 133.5(8) . 27_544 ?
Zn1P Si Zn2 105.34(16) . 27_544 ?
Zn2P Si Zn2 18.04(19) 27_544 27_544 ?
Zn2' Si Zn2 31.4(3) 27_544 27_544 ?
Zn1' Si Zn2 97.0(4) . 27_544 ?
O1 Si Zn1 82.20(11) 101 . ?
O2B Si Zn1 79.7(4) 9 . ?
O4 Si Zn1 154.96(11) 55_454 . ?
O3B Si Zn1 46.00(16) . . ?
O2A Si Zn1 85.2(3) 9 . ?
O3A Si Zn1 35.1(6) . . ?
Zn1P Si Zn1 29.40(5) . . ?
Zn2P Si Zn1 113.47(2) 27_544 . ?
Zn2' Si Zn1 105.00(13) 27_544 . ?
Zn1' Si Zn1 41.5(5) . . ?
Zn2 Si Zn1 123.43(9) 27_544 . ?
Si O1 Si 142.6(2) 115 105 ?
Si O2A Si 127.5(4) 115 5 ?
Si O2A Zn2P 116.29(19) 115 50_454 ?
Si O2A Zn2P 116.23(19) 5 50_454 ?
Si O2A Zn2' 114.15(19) 115 50_454 ?
Si O2A Zn2' 114.16(19) 5 50_454 ?
Zn2P O2A Zn2' 21.1(3) 50_454 50_454 ?
Si O2A Zn2 113.5(3) 115 50_454 ?
Si O2A Zn2 113.4(3) 5 50_454 ?
Zn2P O2A Zn2 27.3(3) 50_454 50_454 ?
Zn2' O2A Zn2 48.4(4) 50_454 50_454 ?
Si O2A Zn1' 80.5(4) 115 . ?
Si O2A Zn1' 80.4(4) 5 . ?
Zn2P O2A Zn1' 110.7(6) 50_454 . ?
Zn2' O2A Zn1' 89.6(7) 50_454 . ?
Zn2 O2A Zn1' 138.0(6) 50_454 . ?
Si O2A Zn1P 75.4(3) 115 . ?
Si O2A Zn1P 75.4(3) 5 . ?
Zn2P O2A Zn1P 123.4(4) 50_454 . ?
Zn2' O2A Zn1P 102.4(5) 50_454 . ?
Zn2 O2A Zn1P 150.7(4) 50_454 . ?
Zn1' O2A Zn1P 12.8(5) . . ?
Si O2B Si 146.2(8) 115 5 ?
Si O2B Zn2P 104.9(3) 115 50_454 ?
Si O2B Zn2P 104.9(3) 5 50_454 ?
Si O2B Zn2' 101.7(3) 115 50_454 ?
Si O2B Zn2' 101.7(3) 5 50_454 ?
Zn2P O2B Zn2' 17.7(3) 50_454 50_454 ?
Si O2B Zn2 106.9(4) 115 50_454 ?
Si O2B Zn2 106.9(4) 5 50_454 ?
Zn2P O2B Zn2 24.6(3) 50_454 50_454 ?
Zn2' O2B Zn2 42.3(4) 50_454 50_454 ?
Si O2B Zn1P 77.1(5) 115 . ?
Si O2B Zn1P 77.1(5) 5 . ?
Zn2P O2B Zn1P 112.0(4) 50_454 . ?
Zn2' O2B Zn1P 94.3(5) 50_454 . ?
Zn2 O2B Zn1P 136.6(5) 50_454 . ?
Si O2B Zn1' 79.9(5) 115 . ?
Si O2B Zn1' 79.8(5) 5 . ?
Zn2P O2B Zn1' 99.3(6) 50_454 . ?
Zn2' O2B Zn1' 81.6(6) 50_454 . ?
Zn2 O2B Zn1' 123.9(7) 50_454 . ?
Zn1P O2B Zn1' 12.7(5) . . ?
Si O3A Si 119.3(14) 115 . ?
Si O3A Zn1P 117.1(8) 115 . ?
Si O3A Zn1P 117.4(8) . . ?
Si O3A Zn1' 111.4(8) 115 . ?
Si O3A Zn1' 111.7(9) . . ?
Zn1P O3A Zn1' 18.3(6) . . ?
Si O3A Zn1 117.6(6) 115 . ?
Si O3A Zn1 117.9(6) . . ?
Zn1P O3A Zn1 47.7(5) . . ?
Zn1' O3A Zn1 66.0(10) . . ?
Si O3B Si 128.8(4) . 115 ?
Si O3B Zn1P 115.20(18) . . ?
Si O3B Zn1P 115.22(18) 115 . ?
Si O3B Zn1' 115.3(2) . . ?
Si O3B Zn1' 115.3(2) 115 . ?
Zn1P O3B Zn1' 18.8(6) . . ?
Si O3B Zn1 105.76(16) . . ?
Si O3B Zn1 105.77(16) 115 . ?
Zn1P O3B Zn1 41.13(13) . . ?
Zn1' O3B Zn1 59.9(7) . . ?
Si O4 Si 149.5(2) 167_565 34_544 ?
Si O4 Zn2P 79.30(10) 167_565 50_454 ?
Si O4 Zn2P 79.30(10) 34_544 50_454 ?
Si O4 Zn2' 77.01(10) 167_565 50_454 ?
Si O4 Zn2' 77.06(10) 34_544 50_454 ?
Zn2P O4 Zn2' 13.65(19) 50_454 50_454 ?
Si O4 Zn2 83.49(11) 167_565 50_454 ?
Si O4 Zn2 83.50(11) 34_544 50_454 ?
Zn2P O4 Zn2 19.4(2) 50_454 50_454 ?
Zn2' O4 Zn2 33.1(3) 50_454 50_454 ?
Zn1P Zn1 Zn1P 180.0(3) . 97 ?
Zn1P Zn1 O3A 126.3(6) . 101 ?
Zn1P Zn1 O3A 53.7(6) 97 101 ?
Zn1P Zn1 O3A 53.7(6) . 5 ?
Zn1P Zn1 O3A 126.3(6) 97 5 ?
O3A Zn1 O3A 180.0(18) 101 5 ?
Zn1P Zn1 O3A 126.3(6) . 97 ?
Zn1P Zn1 O3A 53.7(6) 97 97 ?
O3A Zn1 O3A 88.5(9) 101 97 ?
O3A Zn1 O3A 91.5(9) 5 97 ?
Zn1P Zn1 O3A 126.3(6) . 105 ?
Zn1P Zn1 O3A 53.7(6) 97 105 ?
O3A Zn1 O3A 88.5(9) 101 105 ?
O3A Zn1 O3A 91.5(9) 5 105 ?
O3A Zn1 O3A 88.5(9) 97 105 ?
Zn1P Zn1 O3A 53.7(6) . 9 ?
Zn1P Zn1 O3A 126.3(6) 97 9 ?
O3A Zn1 O3A 91.5(9) 101 9 ?
O3A Zn1 O3A 88.5(9) 5 9 ?
O3A Zn1 O3A 91.5(9) 97 9 ?
O3A Zn1 O3A 180.0(18) 105 9 ?
Zn1P Zn1 O3A 53.7(6) . . ?
Zn1P Zn1 O3A 126.3(6) 97 . ?
O3A Zn1 O3A 91.5(9) 101 . ?
O3A Zn1 O3A 88.5(9) 5 . ?
O3A Zn1 O3A 180.0(10) 97 . ?
O3A Zn1 O3A 91.5(9) 105 . ?
O3A Zn1 O3A 88.5(9) 9 . ?
Zn1P Zn1 Zn1' 180.0(2) . 97 ?
Zn1P Zn1 Zn1' 0.0(2) 97 97 ?
O3A Zn1 Zn1' 53.7(6) 101 97 ?
O3A Zn1 Zn1' 126.3(6) 5 97 ?
O3A Zn1 Zn1' 53.8(6) 97 97 ?
O3A Zn1 Zn1' 53.7(6) 105 97 ?
O3A Zn1 Zn1' 126.3(6) 9 97 ?
O3A Zn1 Zn1' 126.2(6) . 97 ?
Zn1P Zn1 Zn1' 0.0(2) . . ?
Zn1P Zn1 Zn1' 180.0(2) 97 . ?
O3A Zn1 Zn1' 126.3(6) 101 . ?
O3A Zn1 Zn1' 53.7(6) 5 . ?
O3A Zn1 Zn1' 126.2(6) 97 . ?
O3A Zn1 Zn1' 126.3(6) 105 . ?
O3A Zn1 Zn1' 53.7(6) 9 . ?
O3A Zn1 Zn1' 53.8(6) . . ?
Zn1' Zn1 Zn1' 180.0(18) 97 . ?
Zn1P Zn1 O3B 49.50(14) . . ?
Zn1P Zn1 O3B 130.50(14) 97 . ?
O3A Zn1 O3B 94.5(4) 101 . ?
O3A Zn1 O3B 85.5(4) 5 . ?
O3A Zn1 O3B 175.8(7) 97 . ?
O3A Zn1 O3B 94.4(4) 105 . ?
O3A Zn1 O3B 85.6(4) 9 . ?
O3A Zn1 O3B 4.2(7) . . ?
Zn1' Zn1 O3B 130.46(14) 97 . ?
Zn1' Zn1 O3B 49.54(14) . . ?
Zn1P Zn1 O3B 130.51(14) . 105 ?
Zn1P Zn1 O3B 49.49(14) 97 105 ?
O3A Zn1 O3B 85.6(4) 101 105 ?
O3A Zn1 O3B 94.4(4) 5 105 ?
O3A Zn1 O3B 85.5(4) 97 105 ?
O3A Zn1 O3B 4.2(7) 105 105 ?
O3A Zn1 O3B 175.8(7) 9 105 ?
O3A Zn1 O3B 94.5(4) . 105 ?
Zn1' Zn1 O3B 49.47(14) 97 105 ?
Zn1' Zn1 O3B 130.53(14) . 105 ?
O3B Zn1 O3B 97.6(2) . 105 ?
Zn1' Zn1P Zn1 179.9(7) . . ?
Zn1' Zn1P O3A 101.4(6) . 9 ?
Zn1 Zn1P O3A 78.6(6) . 9 ?
Zn1' Zn1P O3A 101.4(6) . 5 ?
Zn1 Zn1P O3A 78.6(6) . 5 ?
O3A Zn1P O3A 116.2(4) 9 5 ?
Zn1' Zn1P O3A 101.6(6) . . ?
Zn1 Zn1P O3A 78.6(6) . . ?
O3A Zn1P O3A 116.2(4) 9 . ?
O3A Zn1P O3A 116.2(4) 5 . ?
Zn1' Zn1P O3B 90.75(17) . . ?
Zn1 Zn1P O3B 89.37(18) . . ?
O3A Zn1P O3B 119.32(9) 9 . ?
O3A Zn1P O3B 119.08(9) 5 . ?
O3A Zn1P O3B 10.8(6) . . ?
Zn1' Zn1P O3B 90.55(18) . 5 ?
Zn1 Zn1P O3B 89.39(18) . 5 ?
O3A Zn1P O3B 119.10(9) 9 5 ?
O3A Zn1P O3B 10.8(6) 5 5 ?
O3A Zn1P O3B 119.32(9) . 5 ?
O3B Zn1P O3B 119.982(7) . 5 ?
Zn1' Zn1P O3B 90.55(18) . 9 ?
Zn1 Zn1P O3B 89.39(18) . 9 ?
O3A Zn1P O3B 10.8(6) 9 9 ?
O3A Zn1P O3B 119.34(9) 5 9 ?
O3A Zn1P O3B 119.08(9) . 9 ?
O3B Zn1P O3B 119.982(7) . 9 ?
O3B Zn1P O3B 120.002(7) 5 9 ?
Zn1' Zn1P O2B 86.87(18) . 9 ?
Zn1 Zn1P O2B 93.20(18) . 9 ?
O3A Zn1P O2B 61.54(11) 9 9 ?
O3A Zn1P O2B 171.8(6) 5 9 ?
O3A Zn1P O2B 61.31(11) . 9 ?
O3B Zn1P O2B 60.097(14) . 9 ?
O3B Zn1P O2B 177.4(3) 5 9 ?
O3B Zn1P O2B 60.083(14) 9 9 ?
Zn1' Zn1P O2B 86.66(18) . 5 ?
Zn1 Zn1P O2B 93.21(18) . 5 ?
O3A Zn1P O2B 61.33(11) 9 5 ?
O3A Zn1P O2B 61.55(11) 5 5 ?
O3A Zn1P O2B 171.8(6) . 5 ?
O3B Zn1P O2B 177.4(3) . 5 ?
O3B Zn1P O2B 60.092(14) 5 5 ?
O3B Zn1P O2B 60.108(14) 9 5 ?
O2B Zn1P O2B 119.70(3) 9 5 ?
Zn1' Zn1P O2B 86.87(18) . . ?
Zn1 Zn1P O2B 93.20(18) . . ?
O3A Zn1P O2B 171.8(6) 9 . ?
O3A Zn1P O2B 61.32(11) 5 . ?
O3A Zn1P O2B 61.54(11) . . ?
O3B Zn1P O2B 60.081(14) . . ?
O3B Zn1P O2B 60.099(14) 5 . ?
O3B Zn1P O2B 177.4(3) 9 . ?
O2B Zn1P O2B 119.68(3) 9 . ?
O2B Zn1P O2B 119.70(3) 5 . ?
Zn1' Zn1P O2A 79.73(12) . . ?
Zn1 Zn1P O2A 100.33(12) . . ?
O3A Zn1P O2A 178.9(6) 9 . ?
O3A Zn1P O2A 63.39(19) 5 . ?
O3A Zn1P O2A 63.57(19) . . ?
O3B Zn1P O2A 60.64(4) . . ?
O3B Zn1P O2A 60.69(4) 5 . ?
O3B Zn1P O2A 170.3(2) 9 . ?
O2B Zn1P O2A 118.73(5) 9 . ?
O2B Zn1P O2A 118.78(5) 5 . ?
O2B Zn1P O2A 7.14(18) . . ?
Zn1P Zn1' O3B 70.5(7) . . ?
Zn1P Zn1' O3B 70.6(7) . 9 ?
O3B Zn1' O3B 109.5(7) . 9 ?
Zn1P Zn1' O3B 70.6(7) . 5 ?
O3B Zn1' O3B 109.5(7) . 5 ?
O3B Zn1' O3B 109.6(7) 9 5 ?
Zn1P Zn1' O3A 60.3(8) . 9 ?
O3B Zn1' O3A 104.2(9) . 9 ?
O3B Zn1' O3A 10.4(5) 9 9 ?
O3B Zn1' O3A 104.1(9) 5 9 ?
Zn1P Zn1' O3A 60.3(8) . 5 ?
O3B Zn1' O3A 104.0(9) . 5 ?
O3B Zn1' O3A 104.3(9) 9 5 ?
O3B Zn1' O3A 10.4(5) 5 5 ?
O3A Zn1' O3A 97.5(11) 9 5 ?
Zn1P Zn1' O3A 60.1(8) . . ?
O3B Zn1' O3A 10.4(5) . . ?
O3B Zn1' O3A 104.0(9) 9 . ?
O3B Zn1' O3A 104.2(9) 5 . ?
O3A Zn1' O3A 97.4(11) 9 . ?
O3A Zn1' O3A 97.4(11) 5 . ?
Zn1P Zn1' Zn1 0.1(5) . . ?
O3B Zn1' Zn1 70.5(7) . . ?
O3B Zn1' Zn1 70.6(7) 9 . ?
O3B Zn1' Zn1 70.6(7) 5 . ?
O3A Zn1' Zn1 60.2(8) 9 . ?
O3A Zn1' Zn1 60.2(8) 5 . ?
O3A Zn1' Zn1 60.2(8) . . ?
Zn1P Zn1' O2A 87.5(5) . . ?
O3B Zn1' O2A 60.92(9) . . ?
O3B Zn1' O2A 158.1(12) 9 . ?
O3B Zn1' O2A 60.99(9) 5 . ?
O3A Zn1' O2A 147.8(13) 9 . ?
O3A Zn1' O2A 62.87(18) 5 . ?
O3A Zn1' O2A 63.02(18) . . ?
Zn1 Zn1' O2A 87.6(5) . . ?
Zn1P Zn1' O2A 87.5(5) . 9 ?
O3B Zn1' O2A 60.97(9) . 9 ?
O3B Zn1' O2A 60.94(9) 9 9 ?
O3B Zn1' O2A 158.1(12) 5 9 ?
O3A Zn1' O2A 63.04(18) 9 9 ?
O3A Zn1' O2A 147.8(13) 5 9 ?
O3A Zn1' O2A 62.85(18) . 9 ?
Zn1 Zn1' O2A 87.6(5) . 9 ?
O2A Zn1' O2A 119.76(7) . 9 ?
Zn1P Zn1' O2A 87.7(5) . 5 ?
O3B Zn1' O2A 158.2(12) . 5 ?
O3B Zn1' O2A 61.04(9) 9 5 ?
O3B Zn1' O2A 61.00(9) 5 5 ?
O3A Zn1' O2A 62.93(18) 9 5 ?
O3A Zn1' O2A 63.09(18) 5 5 ?
O3A Zn1' O2A 147.8(13) . 5 ?
Zn1 Zn1' O2A 87.6(5) . 5 ?
O2A Zn1' O2A 119.85(7) . 5 ?
O2A Zn1' O2A 119.85(7) 9 5 ?
Zn1P Zn1' O2B 80.5(5) . 9 ?
O3B Zn1' O2B 58.66(15) . 9 ?
O3B Zn1' O2B 58.66(14) 9 9 ?
O3B Zn1' O2B 151.1(12) 5 9 ?
O3A Zn1' O2B 59.44(19) 9 9 ?
O3A Zn1' O2B 140.7(13) 5 9 ?
O3A Zn1' O2B 59.23(19) . 9 ?
Zn1 Zn1' O2B 80.5(5) . 9 ?
O2A Zn1' O2B 118.99(18) . 9 ?
O2A Zn1' O2B 7.05(18) 9 9 ?
O2A Zn1' O2B 119.11(18) 5 9 ?
Zn2P Zn2' Zn2 0.1(2) . . ?
Zn2P Zn2' O2A 72.6(4) . 34_544 ?
Zn2 Zn2' O2A 72.6(4) . 34_544 ?
Zn2P Zn2' O2A 72.4(4) . 78_445 ?
Zn2 Zn2' O2A 72.5(4) . 78_445 ?
O2A Zn2' O2A 111.4(4) 34_544 78_445 ?
Zn2P Zn2' O2A 72.6(4) . 50_454 ?
Zn2 Zn2' O2A 72.6(4) . 50_454 ?
O2A Zn2' O2A 111.5(4) 34_544 50_454 ?
O2A Zn2' O2A 111.4(4) 78_445 50_454 ?
Zn2P Zn2' O2B 71.5(4) . 78_445 ?
Zn2 Zn2' O2B 71.6(4) . 78_445 ?
O2A Zn2' O2B 110.9(3) 34_544 78_445 ?
O2A Zn2' O2B 1.0(6) 78_445 78_445 ?
O2A Zn2' O2B 111.0(3) 50_454 78_445 ?
Zn2P Zn2' O2B 71.6(4) . 50_454 ?
Zn2 Zn2' O2B 71.6(4) . 50_454 ?
O2A Zn2' O2B 111.0(3) 34_544 50_454 ?
O2A Zn2' O2B 110.9(3) 78_445 50_454 ?
O2A Zn2' O2B 0.9(6) 50_454 50_454 ?
O2B Zn2' O2B 110.5(4) 78_445 50_454 ?
Zn2P Zn2' O2B 71.6(4) . 34_544 ?
Zn2 Zn2' O2B 71.6(4) . 34_544 ?
O2A Zn2' O2B 0.9(6) 34_544 34_544 ?
O2A Zn2' O2B 111.0(3) 78_445 34_544 ?
O2A Zn2' O2B 111.0(3) 50_454 34_544 ?
O2B Zn2' O2B 110.5(4) 78_445 34_544 ?
O2B Zn2' O2B 110.6(4) 50_454 34_544 ?
Zn2P Zn2' O4 73.9(2) . 34_544 ?
Zn2 Zn2' O4 73.9(2) . 34_544 ?
O2A Zn2' O4 146.5(6) 34_544 34_544 ?
O2A Zn2' O4 57.18(9) 78_445 34_544 ?
O2A Zn2' O4 57.24(9) 50_454 34_544 ?
O2B Zn2' O4 57.08(9) 78_445 34_544 ?
O2B Zn2' O4 57.09(9) 50_454 34_544 ?
O2B Zn2' O4 145.5(6) 34_544 34_544 ?
Zn2P Zn2' O4 74.0(2) . 78_445 ?
Zn2 Zn2' O4 74.0(2) . 78_445 ?
O2A Zn2' O4 57.28(9) 34_544 78_445 ?
O2A Zn2' O4 146.5(6) 78_445 78_445 ?
O2A Zn2' O4 57.24(9) 50_454 78_445 ?
O2B Zn2' O4 145.5(6) 78_445 78_445 ?
O2B Zn2' O4 57.13(9) 50_454 78_445 ?
O2B Zn2' O4 57.12(9) 34_544 78_445 ?
O4 Zn2' O4 112.69(18) 34_544 78_445 ?
Zn2P Zn2' O4 73.9(2) . 50_454 ?
Zn2 Zn2' O4 73.9(2) . 50_454 ?
O2A Zn2' O4 57.19(9) 34_544 50_454 ?
O2A Zn2' O4 57.23(9) 78_445 50_454 ?
O2A Zn2' O4 146.5(6) 50_454 50_454 ?
O2B Zn2' O4 57.07(9) 78_445 50_454 ?
O2B Zn2' O4 145.5(6) 50_454 50_454 ?
O2B Zn2' O4 57.09(9) 34_544 50_454 ?
O4 Zn2' O4 112.63(18) 34_544 50_454 ?
O4 Zn2' O4 112.69(18) 78_445 50_454 ?
Zn2P Zn2' Si 80.1(2) . 190_556 ?
Zn2 Zn2' Si 80.1(2) . 190_556 ?
O2A Zn2' Si 29.89(6) 34_544 190_556 ?
O2A Zn2' Si 87.19(12) 78_445 190_556 ?
O2A Zn2' Si 139.6(4) 50_454 190_556 ?
O2B Zn2' Si 87.01(12) 78_445 190_556 ?
O2B Zn2' Si 139.0(4) 50_454 190_556 ?
O2B Zn2' Si 30.11(7) 34_544 190_556 ?
O4 Zn2' Si 140.6(3) 34_544 190_556 ?
O4 Zn2' Si 87.15(9) 78_445 190_556 ?
O4 Zn2' Si 29.98(3) 50_454 190_556 ?
Zn2' Zn2P Zn2 179.9(4) . . ?
Zn2' Zn2P O2A 86.5(3) . 78_445 ?
Zn2 Zn2P O2A 93.6(3) . 78_445 ?
Zn2' Zn2P O2A 86.3(3) . 50_454 ?
Zn2 Zn2P O2A 93.6(3) . 50_454 ?
O2A Zn2P O2A 119.60(6) 78_445 50_454 ?
Zn2' Zn2P O2A 86.3(3) . 34_544 ?
Zn2 Zn2P O2A 93.6(3) . 34_544 ?
O2A Zn2P O2A 119.60(6) 78_445 34_544 ?
O2A Zn2P O2A 119.61(6) 50_454 34_544 ?
Zn2' Zn2P O2B 90.6(3) . 34_544 ?
Zn2 Zn2P O2B 89.3(3) . 34_544 ?
O2A Zn2P O2B 120.004(17) 78_445 34_544 ?
O2A Zn2P O2B 119.960(18) 50_454 34_544 ?
O2A Zn2P O2B 4.3(6) 34_544 34_544 ?
Zn2' Zn2P O2B 90.8(3) . 78_445 ?
Zn2 Zn2P O2B 89.3(3) . 78_445 ?
O2A Zn2P O2B 4.3(6) 78_445 78_445 ?
O2A Zn2P O2B 120.003(18) 50_454 78_445 ?
O2A Zn2P O2B 119.954(18) 34_544 78_445 ?
O2B Zn2P O2B 119.984(14) 34_544 78_445 ?
Zn2' Zn2P O2B 90.6(3) . 50_454 ?
Zn2 Zn2P O2B 89.3(3) . 50_454 ?
O2A Zn2P O2B 119.954(17) 78_445 50_454 ?
O2A Zn2P O2B 4.3(6) 50_454 50_454 ?
O2A Zn2P O2B 120.009(18) 34_544 50_454 ?
O2B Zn2P O2B 119.990(14) 34_544 50_454 ?
O2B Zn2P O2B 119.984(13) 78_445 50_454 ?
Zn2' Zn2P O4 92.45(6) . 34_544 ?
Zn2 Zn2P O4 87.61(6) . 34_544 ?
O2A Zn2P O4 60.25(3) 78_445 34_544 ?
O2A Zn2P O4 60.29(3) 50_454 34_544 ?
O2A Zn2P O4 178.8(3) 34_544 34_544 ?
O2B Zn2P O4 176.9(3) 34_544 34_544 ?
O2B Zn2P O4 59.999(14) 78_445 34_544 ?
O2B Zn2P O4 59.997(14) 50_454 34_544 ?
Zn2' Zn2P O4 92.29(6) . 78_445 ?
Zn2 Zn2P O4 87.60(6) . 78_445 ?
O2A Zn2P O4 178.8(3) 78_445 78_445 ?
O2A Zn2P O4 60.25(3) 50_454 78_445 ?
O2A Zn2P O4 60.30(2) 34_544 78_445 ?
O2B Zn2P O4 59.999(14) 34_544 78_445 ?
O2B Zn2P O4 176.9(3) 78_445 78_445 ?
O2B Zn2P O4 60.002(14) 50_454 78_445 ?
O4 Zn2P O4 119.828(9) 34_544 78_445 ?
Zn2' Zn2P O4 92.45(6) . 50_454 ?
Zn2 Zn2P O4 87.61(6) . 50_454 ?
O2A Zn2P O4 60.29(3) 78_445 50_454 ?
O2A Zn2P O4 178.8(3) 50_454 50_454 ?
O2A Zn2P O4 60.25(3) 34_544 50_454 ?
O2B Zn2P O4 60.000(14) 34_544 50_454 ?
O2B Zn2P O4 59.996(14) 78_445 50_454 ?
O2B Zn2P O4 176.9(3) 50_454 50_454 ?
O4 Zn2P O4 119.824(9) 34_544 50_454 ?
O4 Zn2P O4 119.828(9) 78_445 50_454 ?
Zn2' Zn2P Si 86.53(3) . 55_454 ?
Zn2 Zn2P Si 93.47(3) . 55_454 ?
O2A Zn2P Si 89.91(2) 78_445 55_454 ?
O2A Zn2P Si 29.808(10) 50_454 55_454 ?
O2A Zn2P Si 149.06(7) 34_544 55_454 ?
O2B Zn2P Si 149.74(4) 34_544 55_454 ?
O2B Zn2P Si 90.20(2) 78_445 55_454 ?
O2B Zn2P Si 30.11(5) 50_454 55_454 ?
O4 Zn2P Si 30.707(14) 34_544 55_454 ?
O4 Zn2P Si 89.991(10) 78_445 55_454 ?
O4 Zn2P Si 150.174(10) 50_454 55_454 ?
Zn2P Zn2 Zn2' 0.05(15) . . ?
Zn2P Zn2 O2A 59.1(3) . 34_544 ?
Zn2' Zn2 O2A 59.1(3) . 34_544 ?
Zn2P Zn2 O2A 59.1(3) . 78_445 ?
Zn2' Zn2 O2A 59.1(3) . 78_445 ?
O2A Zn2 O2A 96.0(4) 34_544 78_445 ?
Zn2P Zn2 O2A 59.1(3) . 50_454 ?
Zn2' Zn2 O2A 59.1(3) . 50_454 ?
O2A Zn2 O2A 96.0(4) 34_544 50_454 ?
O2A Zn2 O2A 96.0(4) 78_445 50_454 ?
Zn2P Zn2 O2B 66.1(4) . 34_544 ?
Zn2' Zn2 O2B 66.1(4) . 34_544 ?
O2A Zn2 O2B 7.0(4) 34_544 34_544 ?
O2A Zn2 O2B 100.6(3) 78_445 34_544 ?
O2A Zn2 O2B 100.6(3) 50_454 34_544 ?
Zn2P Zn2 O2B 66.1(4) . 78_445 ?
Zn2' Zn2 O2B 66.1(4) . 78_445 ?
O2A Zn2 O2B 100.6(3) 34_544 78_445 ?
O2A Zn2 O2B 7.0(4) 78_445 78_445 ?
O2A Zn2 O2B 100.6(3) 50_454 78_445 ?
O2B Zn2 O2B 104.7(4) 34_544 78_445 ?
Zn2P Zn2 O2B 66.1(4) . 50_454 ?
Zn2' Zn2 O2B 66.1(4) . 50_454 ?
O2A Zn2 O2B 100.6(3) 34_544 50_454 ?
O2A Zn2 O2B 100.6(3) 78_445 50_454 ?
O2A Zn2 O2B 7.0(4) 50_454 50_454 ?
O2B Zn2 O2B 104.7(4) 34_544 50_454 ?
O2B Zn2 O2B 104.7(4) 78_445 50_454 ?
Zn2P Zn2 O4 73.0(2) . 34_544 ?
Zn2' Zn2 O4 73.0(2) . 34_544 ?
O2A Zn2 O4 132.0(5) 34_544 34_544 ?
O2A Zn2 O4 55.87(10) 78_445 34_544 ?
O2A Zn2 O4 55.92(10) 50_454 34_544 ?
O2B Zn2 O4 139.1(5) 34_544 34_544 ?
O2B Zn2 O4 56.23(9) 78_445 34_544 ?
O2B Zn2 O4 56.23(9) 50_454 34_544 ?
Zn2P Zn2 O4 73.0(2) . 78_445 ?
Zn2' Zn2 O4 72.9(2) . 78_445 ?
O2A Zn2 O4 55.92(10) 34_544 78_445 ?
O2A Zn2 O4 132.0(5) 78_445 78_445 ?
O2A Zn2 O4 55.88(10) 50_454 78_445 ?
O2B Zn2 O4 56.24(9) 34_544 78_445 ?
O2B Zn2 O4 139.1(5) 78_445 78_445 ?
O2B Zn2 O4 56.24(9) 50_454 78_445 ?
O4 Zn2 O4 111.79(19) 34_544 78_445 ?
Zn2P Zn2 O4 73.0(2) . 50_454 ?
Zn2' Zn2 O4 73.0(2) . 50_454 ?
O2A Zn2 O4 55.88(10) 34_544 50_454 ?
O2A Zn2 O4 55.91(10) 78_445 50_454 ?
O2A Zn2 O4 132.0(5) 50_454 50_454 ?
O2B Zn2 O4 56.24(9) 34_544 50_454 ?
O2B Zn2 O4 56.23(9) 78_445 50_454 ?
O2B Zn2 O4 139.1(5) 50_454 50_454 ?
O4 Zn2 O4 111.78(19) 34_544 50_454 ?
O4 Zn2 O4 111.79(19) 78_445 50_454 ?
Zn2P Zn2 Si 68.50(19) . 27_544 ?
Zn2' Zn2 Si 68.46(19) . 27_544 ?
O2A Zn2 Si 28.30(5) 34_544 27_544 ?
O2A Zn2 Si 120.1(4) 78_445 27_544 ?
O2A Zn2 Si 79.25(19) 50_454 27_544 ?
O2B Zn2 Si 27.59(4) 34_544 27_544 ?
O2B Zn2 Si 125.9(4) 78_445 27_544 ?
O2B Zn2 Si 81.60(18) 50_454 27_544 ?
O4 Zn2 Si 131.6(3) 34_544 27_544 ?
O4 Zn2 Si 28.77(4) 78_445 27_544 ?
O4 Zn2 Si 83.69(13) 50_454 27_544 ?
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(12) 101 ?
Si O2B 1.626(3) 9 ?
Si O4 1.6279(9) 55_454 ?
Si O3B 1.695(3) . ?
Si O2A 1.736(3) 9 ?
Si O3A 1.768(12) . ?
Si Zn1P 3.0884(6) . ?
Si Zn2P 3.1325(6) 27_544 ?
Si Zn2' 3.173(2) 27_544 ?
Si Zn1' 3.194(7) . ?
Si Zn2 3.361(4) 27_544 ?
Si Zn1 3.4469(5) . ?
O2A Zn2P 1.951(7) 50_454 ?
O2A Zn2' 2.040(7) 50_454 ?
O2A Zn2 2.269(11) 50_454 ?
O2A Zn1' 2.984(10) . ?
O2A Zn1P 3.030(10) . ?
O2B Zn2P 2.292(9) 50_454 ?
O2B Zn2' 2.415(10) 50_454 ?
O2B Zn2 2.507(12) 50_454 ?
O2B Zn1P 3.012(13) . ?
O2B Zn1' 3.050(14) . ?
O3A Zn1P 1.85(3) . ?
O3A Zn1' 2.09(3) . ?
O3A Zn1 2.24(2) . ?
O3B Zn1P 1.959(6) . ?
O3B Zn1' 2.079(11) . ?
O3B Zn1 2.576(5) . ?
O4 Zn2P 2.996(3) 50_454 ?
O4 Zn2' 3.115(4) 50_454 ?
O4 Zn2 3.131(4) 50_454 ?
Zn1 Zn1P 1.694(3) . ?
Zn1 Zn1P 1.695(3) 97 ?
Zn1 Zn1' 2.36(3) 97 ?
Zn1 Zn1' 2.36(3) . ?
Zn1P Zn1' 0.67(2) . ?
Zn2' Zn2P 0.736(11) . ?
Zn2' Zn2 1.778(17) . ?
Zn2P Zn2 1.043(12) . ?
