#------------------------------------------------------------------------------
#$Date: 2021-02-04 05:33:29 +0200 (Thu, 04 Feb 2021) $
#$Revision: 261505 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/99/1559935.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_1559935
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'
_chemical_formula_weight         13955.56
_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                   24.7367(3)
_cell_length_b                   24.7367(3)
_cell_length_c                   24.7367(3)
_cell_measurement_temperature    100(1)
_cell_volume                     15136.5(3)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(1)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.939
_diffrn_radiation_wavelength     0.630
_diffrn_reflns_av_R_equivalents  0.0109
_diffrn_reflns_av_unetI/netI     0.0146
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.939
_diffrn_reflns_limit_h_max       43
_diffrn_reflns_limit_h_min       1
_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            3366
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.939
_diffrn_reflns_theta_full        22.210
_diffrn_reflns_theta_max         33.544
_diffrn_reflns_theta_min         1.264
_exptl_absorpt_coefficient_mu    1.749
_exptl_crystal_density_diffrn    1.531
_exptl_crystal_F_000             6869
_refine_diff_density_max         1.257
_refine_diff_density_min         -1.270
_refine_diff_density_rms         0.417
_refine_ls_extinction_coef       0.00072(4)
_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   1.327
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     73
_refine_ls_number_reflns         1939
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.326
_refine_ls_R_factor_all          0.0877
_refine_ls_R_factor_gt           0.0702
_refine_ls_shift/su_max          9.074
_refine_ls_shift/su_mean         0.553
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0720P)²+236.2433P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1929
_refine_ls_wR_factor_ref         0.2176
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1716
_reflns_number_total             1939
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ZnY823-2.cif
_cod_data_source_block           ZnY823-2
_cod_depositor_comments
'Adding full bibliography for 1559931--1559945.cif.'
_cod_original_cell_volume        15136.5(6)
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_database_code               1559935
_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 -0.05253(3) 0.12377(2) 0.03642(2) 0.00968(19) Uani 1 1 d . . . . .
O1 O -0.10305(11) 0.000000 0.10305(11) 0.0370(9) Uani 1 2 d S T P . .
O2A O 0.0029(2) 0.0029(2) 0.1512(4) 0.0134(12) Uani 0.5756 2 d S T P . .
O2B O -0.0059(4) -0.0059(4) 0.1420(5) 0.0148(17) Uani 0.4244 2 d S T P . .
O3A O -0.0316(12) 0.0615(7) 0.0615(7) 0.015(4) Uani 0.161(4) 2 d S T P . .
O3B O -0.0251(3) 0.07112(16) 0.07112(16) 0.0196(9) Uani 0.839(4) 2 d S T P . .
O4 O 0.07879(9) 0.07879(9) 0.31936(13) 0.0212(5) Uani 1 2 d S T P . .
Zn1 Zn 0.000000 0.000000 0.000000 0.031(2) Uani 0.161(4) 12 d S T P . .
Zn1P Zn 0.03944(7) 0.03944(7) 0.03944(7) 0.0135(5) Uani 0.342(7) 6 d S T P . .
Zn1' Zn 0.0539(7) 0.0539(7) 0.0539(7) 0.062(8) Uani 0.154(12) 6 d S T P . .
Zn2' Zn 0.2007(3) 0.2007(3) 0.2007(3) 0.015(3) Uani 0.076(5) 6 d S T . . .
Zn2P Zn 0.21769(5) 0.21769(5) 0.21769(5) 0.0096(5) Uani 0.427(6) 6 d S T . . .
Zn2 Zn 0.2408(4) 0.2408(4) 0.2408(4) 0.030(4) Uani 0.072(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 113.4(4) 9 55_454 ?
O1 Si O4 112.82(16) 101 55_454 ?
O2B Si O3B 104.9(6) 9 . ?
O1 Si O3B 110.3(2) 101 . ?
O4 Si O3B 109.1(2) 55_454 . ?
O2B Si O2A 12.5(3) 9 9 ?
O1 Si O2A 117.7(2) 101 9 ?
O4 Si O2A 103.2(3) 55_454 9 ?
O3B Si O2A 103.0(4) . 9 ?
O2B Si O3A 105.5(12) 9 . ?
O1 Si O3A 98.5(6) 101 . ?
O4 Si O3A 119.0(9) 55_454 . ?
O3B Si O3A 12.4(5) . . ?
O2A Si O3A 106.3(11) 9 . ?
O2B Si Zn1P 71.4(5) 9 . ?
O1 Si Zn1P 111.56(14) 101 . ?
O4 Si Zn1P 131.30(13) 55_454 . ?
O3B Si Zn1P 34.6(2) . . ?
O2A Si Zn1P 72.2(4) 9 . ?
O3A Si Zn1P 34.3(10) . . ?
O2B Si Zn2P 45.3(3) 9 27_544 ?
O1 Si Zn2P 137.03(7) 101 27_544 ?
O4 Si Zn2P 69.97(11) 55_454 27_544 ?
O3B Si Zn2P 108.5(2) . 27_544 ?
O2A Si Zn2P 33.7(2) 9 27_544 ?
O3A Si Zn2P 117.9(7) . 27_544 ?
Zn1P Si Zn2P 90.48(5) . 27_544 ?
O2B Si Zn2' 48.2(3) 9 27_544 ?
O1 Si Zn2' 148.9(2) 101 27_544 ?
O4 Si Zn2' 72.89(12) 55_454 27_544 ?
O3B Si Zn2' 95.2(3) . 27_544 ?
O2A Si Zn2' 35.8(2) 9 27_544 ?
O3A Si Zn2' 105.0(7) . 27_544 ?
Zn1P Si Zn2' 79.5(2) . 27_544 ?
Zn2P Si Zn2' 13.2(2) 27_544 27_544 ?
O2B Si Zn1' 69.6(5) 9 . ?
O1 Si Zn1' 122.6(5) 101 . ?
O4 Si Zn1' 121.2(5) 55_454 . ?
O3B Si Zn1' 35.4(2) . . ?
O2A Si Zn1' 67.9(4) 9 . ?
O3A Si Zn1' 39.0(10) . . ?
Zn1P Si Zn1' 11.1(5) . . ?
Zn2P Si Zn1' 81.6(4) 27_544 . ?
Zn2' Si Zn1' 69.9(5) 27_544 . ?
O2B Si Zn2 45.9(4) 9 27_544 ?
O1 Si Zn2 120.9(3) 101 27_544 ?
O4 Si Zn2 67.78(11) 55_454 27_544 ?
O3B Si Zn2 125.6(4) . 27_544 ?
O2A Si Zn2 37.5(3) 9 27_544 ?
O3A Si Zn2 134.6(8) . 27_544 ?
Zn1P Si Zn2 104.7(2) . 27_544 ?
Zn2P Si Zn2 17.2(3) 27_544 27_544 ?
Zn2' Si Zn2 30.4(4) 27_544 27_544 ?
Zn1' Si Zn2 97.0(5) . 27_544 ?
O2B Si Zn1 79.1(4) 9 . ?
O1 Si Zn1 82.24(13) 101 . ?
O4 Si Zn1 154.87(12) 55_454 . ?
O3B Si Zn1 45.73(19) . . ?
O2A Si Zn1 85.6(3) 9 . ?
O3A Si Zn1 36.3(9) . . ?
Zn1P Si Zn1 29.32(5) . . ?
Zn2P Si Zn1 113.45(3) 27_544 . ?
Zn2' Si Zn1 105.06(16) 27_544 . ?
Zn1' Si Zn1 40.4(5) . . ?
Zn2 Si Zn1 123.01(15) 27_544 . ?
Si O1 Si 142.5(3) 115 105 ?
Si O2A Si 126.8(4) 115 5 ?
Si O2A Zn2P 116.7(2) 115 50_454 ?
Si O2A Zn2P 116.5(2) 5 50_454 ?
Si O2A Zn2' 114.4(2) 115 50_454 ?
Si O2A Zn2' 114.2(2) 5 50_454 ?
Zn2P O2A Zn2' 21.0(3) 50_454 50_454 ?
Si O2A Zn2 114.2(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 47.3(6) 50_454 50_454 ?
Si O2A Zn1' 79.6(4) 115 . ?
Si O2A Zn1' 79.4(4) 5 . ?
Zn2P O2A Zn1' 111.6(7) 50_454 . ?
Zn2' O2A Zn1' 90.7(8) 50_454 . ?
Zn2 O2A Zn1' 137.9(8) 50_454 . ?
Si O2A Zn1P 74.9(3) 115 . ?
Si O2A Zn1P 74.8(3) 5 . ?
Zn2P O2A Zn1P 123.2(4) 50_454 . ?
Zn2' O2A Zn1P 102.3(5) 50_454 . ?
Zn2 O2A Zn1P 149.5(5) 50_454 . ?
Zn1' O2A Zn1P 11.6(6) . . ?
Si O2B Si 147.2(8) 115 5 ?
Si O2B Zn2P 104.5(3) 115 50_454 ?
Si O2B Zn2P 104.7(3) 5 50_454 ?
Si O2B Zn2' 101.6(4) 115 50_454 ?
Si O2B Zn2' 101.8(4) 5 50_454 ?
Zn2P O2B Zn2' 17.5(3) 50_454 50_454 ?
Si O2B Zn2 106.2(4) 115 50_454 ?
Si O2B Zn2 106.5(4) 5 50_454 ?
Zn2P O2B Zn2 23.3(4) 50_454 50_454 ?
Zn2' O2B Zn2 40.8(5) 50_454 50_454 ?
Si O2B Zn1P 77.7(5) 115 . ?
Si O2B Zn1P 77.8(5) 5 . ?
Zn2P O2B Zn1P 112.4(5) 50_454 . ?
Zn2' O2B Zn1P 94.8(5) 50_454 . ?
Zn2 O2B Zn1P 135.7(6) 50_454 . ?
Si O2B Zn1' 80.2(5) 115 . ?
Si O2B Zn1' 80.2(5) 5 . ?
Zn2P O2B Zn1' 100.7(7) 50_454 . ?
Zn2' O2B Zn1' 83.2(7) 50_454 . ?
Zn2 O2B Zn1' 124.0(8) 50_454 . ?
Zn1P O2B Zn1' 11.7(5) . . ?
Si O3A Si 123(2) . 115 ?
Si O3A Zn1P 115.0(10) . . ?
Si O3A Zn1P 115.1(10) 115 . ?
Si O3A Zn1' 110.1(9) . . ?
Si O3A Zn1' 110.2(9) 115 . ?
Zn1P O3A Zn1' 16.3(7) . . ?
Si O3A Zn1 116.9(9) . . ?
Si O3A Zn1 117.0(9) 115 . ?
Zn1P O3A Zn1 46.3(8) . . ?
Zn1' O3A Zn1 62.6(12) . . ?
Si O3B Si 127.9(4) . 115 ?
Si O3B Zn1P 115.6(2) . . ?
Si O3B Zn1P 115.7(2) 115 . ?
Si O3B Zn1' 115.8(2) . . ?
Si O3B Zn1' 115.9(2) 115 . ?
Zn1P O3B Zn1' 17.4(8) . . ?
Si O3B Zn1 105.91(19) . . ?
Si O3B Zn1 105.99(19) 115 . ?
Zn1P O3B Zn1 41.19(15) . . ?
Zn1' O3B Zn1 58.6(8) . . ?
Si O4 Si 149.7(2) 167_565 34_544 ?
Si O4 Zn2P 79.33(11) 167_565 50_454 ?
Si O4 Zn2P 79.32(11) 34_544 50_454 ?
Si O4 Zn2' 77.09(11) 167_565 50_454 ?
Si O4 Zn2' 77.11(11) 34_544 50_454 ?
Zn2P O4 Zn2' 13.5(2) 50_454 50_454 ?
Si O4 Zn2 83.25(13) 167_565 50_454 ?
Si O4 Zn2 83.29(13) 34_544 50_454 ?
Zn2P O4 Zn2 18.5(3) 50_454 50_454 ?
Zn2' O4 Zn2 32.0(4) 50_454 50_454 ?
Zn1P Zn1 Zn1P 180.0(3) 97 . ?
Zn1P Zn1 O3A 55.2(6) 97 105 ?
Zn1P Zn1 O3A 124.8(6) . 105 ?
Zn1P Zn1 O3A 124.8(6) 97 9 ?
Zn1P Zn1 O3A 55.2(6) . 9 ?
O3A Zn1 O3A 180(3) 105 9 ?
Zn1P Zn1 O3A 55.2(6) 97 101 ?
Zn1P Zn1 O3A 124.8(6) . 101 ?
O3A Zn1 O3A 90.7(8) 105 101 ?
O3A Zn1 O3A 89.3(8) 9 101 ?
Zn1P Zn1 O3A 124.8(6) 97 5 ?
Zn1P Zn1 O3A 55.2(6) . 5 ?
O3A Zn1 O3A 89.3(8) 105 5 ?
O3A Zn1 O3A 90.7(8) 9 5 ?
O3A Zn1 O3A 180(3) 101 5 ?
Zn1P Zn1 O3A 55.2(6) 97 97 ?
Zn1P Zn1 O3A 124.8(6) . 97 ?
O3A Zn1 O3A 90.7(8) 105 97 ?
O3A Zn1 O3A 89.3(8) 9 97 ?
O3A Zn1 O3A 90.7(8) 101 97 ?
O3A Zn1 O3A 89.3(8) 5 97 ?
Zn1P Zn1 O3A 124.8(6) 97 . ?
Zn1P Zn1 O3A 55.2(6) . . ?
O3A Zn1 O3A 89.3(8) 105 . ?
O3A Zn1 O3A 90.7(8) 9 . ?
O3A Zn1 O3A 89.3(8) 101 . ?
O3A Zn1 O3A 90.7(8) 5 . ?
O3A Zn1 O3A 180.0 97 . ?
Zn1P Zn1 Zn1' 0.11(16) 97 97 ?
Zn1P Zn1 Zn1' 179.89(16) . 97 ?
O3A Zn1 Zn1' 55.2(6) 105 97 ?
O3A Zn1 Zn1' 124.8(6) 9 97 ?
O3A Zn1 Zn1' 55.2(6) 101 97 ?
O3A Zn1 Zn1' 124.8(6) 5 97 ?
O3A Zn1 Zn1' 55.3(6) 97 97 ?
O3A Zn1 Zn1' 124.7(6) . 97 ?
Zn1P Zn1 Zn1' 179.89(16) 97 . ?
Zn1P Zn1 Zn1' 0.11(16) . . ?
O3A Zn1 Zn1' 124.8(6) 105 . ?
O3A Zn1 Zn1' 55.2(6) 9 . ?
O3A Zn1 Zn1' 124.8(6) 101 . ?
O3A Zn1 Zn1' 55.2(6) 5 . ?
O3A Zn1 Zn1' 124.7(6) 97 . ?
O3A Zn1 Zn1' 55.3(6) . . ?
Zn1' Zn1 Zn1' 180(2) 97 . ?
Zn1P Zn1 O3B 130.73(14) 97 . ?
Zn1P Zn1 O3B 49.27(14) . . ?
O3A Zn1 O3B 93.5(4) 105 . ?
O3A Zn1 O3B 86.5(4) 9 . ?
O3A Zn1 O3B 93.5(4) 101 . ?
O3A Zn1 O3B 86.5(4) 5 . ?
O3A Zn1 O3B 174.0(7) 97 . ?
O3A Zn1 O3B 6.0(7) . . ?
Zn1' Zn1 O3B 130.62(14) 97 . ?
Zn1' Zn1 O3B 49.38(14) . . ?
Zn1P Zn1 O3B 49.25(14) 97 105 ?
Zn1P Zn1 O3B 130.75(14) . 105 ?
O3A Zn1 O3B 6.0(7) 105 105 ?
O3A Zn1 O3B 174.0(7) 9 105 ?
O3A Zn1 O3B 86.5(4) 101 105 ?
O3A Zn1 O3B 93.5(4) 5 105 ?
O3A Zn1 O3B 86.5(4) 97 105 ?
O3A Zn1 O3B 93.5(4) . 105 ?
Zn1' Zn1 O3B 49.20(14) 97 105 ?
Zn1' Zn1 O3B 130.80(14) . 105 ?
O3B Zn1 O3B 98.0(2) . 105 ?
Zn1' Zn1P Zn1 179.6(6) . . ?
Zn1' Zn1P O3A 102.0(5) . . ?
Zn1 Zn1P O3A 78.5(5) . . ?
Zn1' Zn1P O3A 101.3(5) . 5 ?
Zn1 Zn1P O3A 78.5(5) . 5 ?
O3A Zn1P O3A 116.1(4) . 5 ?
Zn1' Zn1P O3A 101.3(5) . 9 ?
Zn1 Zn1P O3A 78.5(5) . 9 ?
O3A Zn1P O3A 116.1(4) . 9 ?
O3A Zn1P O3A 116.1(4) 5 9 ?
Zn1' Zn1P O3B 90.88(18) . . ?
Zn1 Zn1P O3B 89.55(18) . . ?
O3A Zn1P O3B 11.1(5) . . ?
O3A Zn1P O3B 119.23(9) 5 . ?
O3A Zn1P O3B 119.23(9) 9 . ?
Zn1' Zn1P O3B 90.23(19) . 5 ?
Zn1 Zn1P O3B 89.56(18) . 5 ?
O3A Zn1P O3B 119.23(9) . 5 ?
O3A Zn1P O3B 11.1(5) 5 5 ?
O3A Zn1P O3B 119.24(9) 9 5 ?
O3B Zn1P O3B 119.989(5) . 5 ?
Zn1' Zn1P O3B 90.23(19) . 9 ?
Zn1 Zn1P O3B 89.56(18) . 9 ?
O3A Zn1P O3B 119.23(9) . 9 ?
O3A Zn1P O3B 119.24(9) 5 9 ?
O3A Zn1P O3B 11.1(5) 9 9 ?
O3B Zn1P O3B 119.989(5) . 9 ?
O3B Zn1P O3B 120.004(5) 5 9 ?
Zn1' Zn1P O2B 87.00(19) . . ?
Zn1 Zn1P O2B 93.2(2) . . ?
O3A Zn1P O2B 61.46(11) . . ?
O3A Zn1P O2B 61.43(11) 5 . ?
O3A Zn1P O2B 171.7(6) 9 . ?
O3B Zn1P O2B 60.094(14) . . ?
O3B Zn1P O2B 60.065(14) 5 . ?
O3B Zn1P O2B 177.2(3) 9 . ?
Zn1' Zn1P O2B 87.0(2) . 9 ?
Zn1 Zn1P O2B 93.2(2) . 9 ?
O3A Zn1P O2B 61.43(11) . 9 ?
O3A Zn1P O2B 171.7(6) 5 9 ?
O3A Zn1P O2B 61.46(11) 9 9 ?
O3B Zn1P O2B 60.064(14) . 9 ?
O3B Zn1P O2B 177.2(3) 5 9 ?
O3B Zn1P O2B 60.095(14) 9 9 ?
O2B Zn1P O2B 119.68(4) . 9 ?
Zn1' Zn1P O2B 86.4(2) . 5 ?
Zn1 Zn1P O2B 93.2(2) . 5 ?
O3A Zn1P O2B 171.7(6) . 5 ?
O3A Zn1P O2B 61.47(11) 5 5 ?
O3A Zn1P O2B 61.44(11) 9 5 ?
O3B Zn1P O2B 177.2(3) . 5 ?
O3B Zn1P O2B 60.102(14) 5 5 ?
O3B Zn1P O2B 60.071(14) 9 5 ?
O2B Zn1P O2B 119.69(4) . 5 ?
O2B Zn1P O2B 119.69(4) 9 5 ?
Zn1' Zn1P O2A 79.74(14) . 9 ?
Zn1 Zn1P O2A 100.47(14) . 9 ?
O3A Zn1P O2A 63.63(17) . 9 ?
O3A Zn1P O2A 178.9(6) 5 9 ?
O3A Zn1P O2A 63.46(17) 9 9 ?
O3B Zn1P O2A 60.73(4) . 9 ?
O3B Zn1P O2A 170.0(3) 5 9 ?
O3B Zn1P O2A 60.55(4) 9 9 ?
O2B Zn1P O2A 118.83(6) . 9 ?
O2B Zn1P O2A 7.3(2) 9 9 ?
O2B Zn1P O2A 118.63(6) 5 9 ?
Zn1P Zn1' O3B 72.3(8) . 5 ?
Zn1P Zn1' O3B 72.3(8) . 9 ?
O3B Zn1' O3B 111.2(8) 5 9 ?
Zn1P Zn1' O3B 71.7(8) . . ?
O3B Zn1' O3B 110.9(8) 5 . ?
O3B Zn1' O3B 110.9(8) 9 . ?
Zn1P Zn1' O3A 61.7(9) . . ?
O3B Zn1' O3A 106.0(9) 5 . ?
O3B Zn1' O3A 106.0(9) 9 . ?
O3B Zn1' O3A 10.0(6) . . ?
Zn1P Zn1' O3A 62.3(10) . 5 ?
O3B Zn1' O3A 10.0(6) 5 5 ?
O3B Zn1' O3A 106.2(9) 9 5 ?
O3B Zn1' O3A 106.0(9) . 5 ?
O3A Zn1' O3A 99.8(12) . 5 ?
Zn1P Zn1' O3A 62.3(10) . 9 ?
O3B Zn1' O3A 106.2(9) 5 9 ?
O3B Zn1' O3A 10.0(6) 9 9 ?
O3B Zn1' O3A 106.0(9) . 9 ?
O3A Zn1' O3A 99.8(12) . 9 ?
O3A Zn1' O3A 100.0(12) 5 9 ?
Zn1P Zn1' Zn1 0.3(5) . . ?
O3B Zn1' Zn1 72.1(8) 5 . ?
O3B Zn1' Zn1 72.1(8) 9 . ?
O3B Zn1' Zn1 72.0(8) . . ?
O3A Zn1' Zn1 62.0(10) . . ?
O3A Zn1' Zn1 62.1(10) 5 . ?
O3A Zn1' Zn1 62.1(10) 9 . ?
Zn1P Zn1' O2A 89.3(6) . 5 ?
O3B Zn1' O2A 61.23(9) 5 5 ?
O3B Zn1' O2A 61.40(9) 9 5 ?
O3B Zn1' O2A 161.0(14) . 5 ?
O3A Zn1' O2A 151.0(15) . 5 ?
O3A Zn1' O2A 63.2(2) 5 5 ?
O3A Zn1' O2A 63.4(2) 9 5 ?
Zn1 Zn1' O2A 89.0(6) . 5 ?
Zn1P Zn1' O2A 88.7(6) . 9 ?
O3B Zn1' O2A 161.0(14) 5 9 ?
O3B Zn1' O2A 61.08(8) 9 9 ?
O3B Zn1' O2A 61.20(8) . 9 ?
O3A Zn1' O2A 63.2(2) . 9 ?
O3A Zn1' O2A 150.9(15) 5 9 ?
O3A Zn1' O2A 63.1(2) 9 9 ?
Zn1 Zn1' O2A 88.8(6) . 9 ?
O2A Zn1' O2A 120.04(4) 5 9 ?
Zn1P Zn1' O2A 88.7(6) . . ?
O3B Zn1' O2A 61.25(8) 5 . ?
O3B Zn1' O2A 161.0(14) 9 . ?
O3B Zn1' O2A 61.03(8) . . ?
O3A Zn1' O2A 63.0(2) . . ?
O3A Zn1' O2A 63.2(2) 5 . ?
O3A Zn1' O2A 150.9(15) 9 . ?
Zn1 Zn1' O2A 88.8(6) . . ?
O2A Zn1' O2A 120.04(4) 5 . ?
O2A Zn1' O2A 119.80(4) 9 . ?
Zn1P Zn1' O2B 81.3(6) . . ?
O3B Zn1' O2B 58.89(15) 5 . ?
O3B Zn1' O2B 153.6(14) 9 . ?
O3B Zn1' O2B 58.89(15) . . ?
O3A Zn1' O2B 59.5(2) . . ?
O3A Zn1' O2B 59.6(2) 5 . ?
O3A Zn1' O2B 143.6(15) 9 . ?
Zn1 Zn1' O2B 81.5(6) . . ?
O2A Zn1' O2B 119.42(17) 5 . ?
O2A Zn1' O2B 119.39(17) 9 . ?
O2A Zn1' O2B 7.32(18) . . ?
Zn2P Zn2' Zn2 0.1(2) . . ?
Zn2P Zn2' O2A 72.4(5) . 34_544 ?
Zn2 Zn2' O2A 72.3(5) . 34_544 ?
Zn2P Zn2' O2A 72.3(5) . 78_445 ?
Zn2 Zn2' O2A 72.4(5) . 78_445 ?
O2A Zn2' O2A 111.2(4) 34_544 78_445 ?
Zn2P Zn2' O2A 72.4(5) . 50_454 ?
Zn2 Zn2' O2A 72.3(5) . 50_454 ?
O2A Zn2' O2A 111.2(4) 34_544 50_454 ?
O2A Zn2' O2A 111.2(4) 78_445 50_454 ?
Zn2P Zn2' O2B 72.2(5) . 50_454 ?
Zn2 Zn2' O2B 72.1(5) . 50_454 ?
O2A Zn2' O2B 111.3(3) 34_544 50_454 ?
O2A Zn2' O2B 111.0(3) 78_445 50_454 ?
O2A Zn2' O2B 0.2(5) 50_454 50_454 ?
Zn2P Zn2' O2B 72.2(5) . 34_544 ?
Zn2 Zn2' O2B 72.1(5) . 34_544 ?
O2A Zn2' O2B 0.2(5) 34_544 34_544 ?
O2A Zn2' O2B 111.2(3) 78_445 34_544 ?
O2A Zn2' O2B 111.0(3) 50_454 34_544 ?
O2B Zn2' O2B 111.1(4) 50_454 34_544 ?
Zn2P Zn2' O2B 72.1(5) . 78_445 ?
Zn2 Zn2' O2B 72.2(5) . 78_445 ?
O2A Zn2' O2B 111.0(3) 34_544 78_445 ?
O2A Zn2' O2B 0.2(5) 78_445 78_445 ?
O2A Zn2' O2B 111.2(3) 50_454 78_445 ?
O2B Zn2' O2B 111.0(4) 50_454 78_445 ?
O2B Zn2' O2B 111.0(4) 34_544 78_445 ?
Zn2P Zn2' O4 74.1(2) . 34_544 ?
Zn2 Zn2' O4 74.1(2) . 34_544 ?
O2A Zn2' O4 146.4(7) 34_544 34_544 ?
O2A Zn2' O4 57.14(10) 78_445 34_544 ?
O2A Zn2' O4 57.29(10) 50_454 34_544 ?
O2B Zn2' O4 57.13(10) 50_454 34_544 ?
O2B Zn2' O4 146.3(6) 34_544 34_544 ?
O2B Zn2' O4 57.26(10) 78_445 34_544 ?
Zn2P Zn2' O4 74.2(2) . 78_445 ?
Zn2 Zn2' O4 74.1(2) . 78_445 ?
O2A Zn2' O4 57.32(10) 34_544 78_445 ?
O2A Zn2' O4 146.4(7) 78_445 78_445 ?
O2A Zn2' O4 57.17(10) 50_454 78_445 ?
O2B Zn2' O4 57.29(10) 50_454 78_445 ?
O2B Zn2' O4 57.15(10) 34_544 78_445 ?
O2B Zn2' O4 146.3(6) 78_445 78_445 ?
O4 Zn2' O4 112.8(2) 34_544 78_445 ?
Zn2P Zn2' O4 74.1(2) . 50_454 ?
Zn2 Zn2' O4 74.1(2) . 50_454 ?
O2A Zn2' O4 57.14(10) 34_544 50_454 ?
O2A Zn2' O4 57.29(10) 78_445 50_454 ?
O2A Zn2' O4 146.4(7) 50_454 50_454 ?
O2B Zn2' O4 146.3(6) 50_454 50_454 ?
O2B Zn2' O4 57.27(10) 34_544 50_454 ?
O2B Zn2' O4 57.13(10) 78_445 50_454 ?
O4 Zn2' O4 112.8(2) 34_544 50_454 ?
O4 Zn2' O4 112.8(2) 78_445 50_454 ?
Zn2P Zn2' Si 80.3(2) . 27_544 ?
Zn2 Zn2' Si 80.2(2) . 27_544 ?
O2A Zn2' Si 30.08(6) 34_544 27_544 ?
O2A Zn2' Si 139.5(4) 78_445 27_544 ?
O2A Zn2' Si 87.15(14) 50_454 27_544 ?
O2B Zn2' Si 87.26(13) 50_454 27_544 ?
O2B Zn2' Si 29.97(7) 34_544 27_544 ?
O2B Zn2' Si 139.3(4) 78_445 27_544 ?
O4 Zn2' Si 140.9(3) 34_544 27_544 ?
O4 Zn2' Si 30.01(3) 78_445 27_544 ?
O4 Zn2' Si 87.18(10) 50_454 27_544 ?
Zn2' Zn2P Zn2 179.8(4) . . ?
Zn2' Zn2P O2A 86.7(3) . 34_544 ?
Zn2 Zn2P O2A 93.2(3) . 34_544 ?
Zn2' Zn2P O2A 86.8(3) . 78_445 ?
Zn2 Zn2P O2A 93.4(3) . 78_445 ?
O2A Zn2P O2A 119.68(6) 34_544 78_445 ?
Zn2' Zn2P O2A 86.7(3) . 50_454 ?
Zn2 Zn2P O2A 93.2(3) . 50_454 ?
O2A Zn2P O2A 119.67(7) 34_544 50_454 ?
O2A Zn2P O2A 119.68(6) 78_445 50_454 ?
Zn2' Zn2P O2B 90.3(4) . 50_454 ?
Zn2 Zn2P O2B 89.6(4) . 50_454 ?
O2A Zn2P O2B 120.112(18) 34_544 50_454 ?
O2A Zn2P O2B 119.819(18) 78_445 50_454 ?
O2A Zn2P O2B 3.6(7) 50_454 50_454 ?
Zn2' Zn2P O2B 90.3(4) . 34_544 ?
Zn2 Zn2P O2B 89.6(4) . 34_544 ?
O2A Zn2P O2B 3.6(7) 34_544 34_544 ?
O2A Zn2P O2B 120.118(18) 78_445 34_544 ?
O2A Zn2P O2B 119.813(18) 50_454 34_544 ?
O2B Zn2P O2B 119.993(7) 50_454 34_544 ?
Zn2' Zn2P O2B 90.4(4) . 78_445 ?
Zn2 Zn2P O2B 89.8(4) . 78_445 ?
O2A Zn2P O2B 119.819(18) 34_544 78_445 ?
O2A Zn2P O2B 3.6(7) 78_445 78_445 ?
O2A Zn2P O2B 120.118(18) 50_454 78_445 ?
O2B Zn2P O2B 119.999(7) 50_454 78_445 ?
O2B Zn2P O2B 119.999(8) 34_544 78_445 ?
Zn2' Zn2P O4 92.41(7) . 34_544 ?
Zn2 Zn2P O4 87.68(7) . 34_544 ?
O2A Zn2P O4 179.1(4) 34_544 34_544 ?
O2A Zn2P O4 60.16(3) 78_445 34_544 ?
O2A Zn2P O4 60.32(3) 50_454 34_544 ?
O2B Zn2P O4 59.944(17) 50_454 34_544 ?
O2B Zn2P O4 177.3(4) 34_544 34_544 ?
O2B Zn2P O4 60.085(16) 78_445 34_544 ?
Zn2' Zn2P O4 92.30(7) . 78_445 ?
Zn2 Zn2P O4 87.52(7) . 78_445 ?
O2A Zn2P O4 60.32(3) 34_544 78_445 ?
O2A Zn2P O4 179.1(4) 78_445 78_445 ?
O2A Zn2P O4 60.16(3) 50_454 78_445 ?
O2B Zn2P O4 60.082(16) 50_454 78_445 ?
O2B Zn2P O4 59.942(17) 34_544 78_445 ?
O2B Zn2P O4 177.3(4) 78_445 78_445 ?
O4 Zn2P O4 119.829(11) 34_544 78_445 ?
Zn2' Zn2P O4 92.41(7) . 50_454 ?
Zn2 Zn2P O4 87.68(7) . 50_454 ?
O2A Zn2P O4 60.16(3) 34_544 50_454 ?
O2A Zn2P O4 60.32(3) 78_445 50_454 ?
O2A Zn2P O4 179.1(4) 50_454 50_454 ?
O2B Zn2P O4 177.3(4) 50_454 50_454 ?
O2B Zn2P O4 60.084(17) 34_544 50_454 ?
O2B Zn2P O4 59.945(17) 78_445 50_454 ?
O4 Zn2P O4 119.833(10) 34_544 50_454 ?
O4 Zn2P O4 119.829(10) 78_445 50_454 ?
Zn2' Zn2P Si 86.61(4) . 83_445 ?
Zn2 Zn2P Si 93.54(4) . 83_445 ?
O2A Zn2P Si 89.89(2) 34_544 83_445 ?
O2A Zn2P Si 29.863(13) 78_445 83_445 ?
O2A Zn2P Si 149.19(7) 50_454 83_445 ?
O2B Zn2P Si 149.63(4) 50_454 83_445 ?
O2B Zn2P Si 90.26(2) 34_544 83_445 ?
O2B Zn2P Si 29.99(5) 78_445 83_445 ?
O4 Zn2P Si 89.980(11) 34_544 83_445 ?
O4 Zn2P Si 150.185(11) 78_445 83_445 ?
O4 Zn2P Si 30.708(16) 50_454 83_445 ?
Zn2P Zn2 Zn2' 0.08(17) . . ?
Zn2P Zn2 O2A 60.5(5) . 34_544 ?
Zn2' Zn2 O2A 60.4(5) . 34_544 ?
Zn2P Zn2 O2A 60.3(5) . 78_445 ?
Zn2' Zn2 O2A 60.4(5) . 78_445 ?
O2A Zn2 O2A 97.7(6) 34_544 78_445 ?
Zn2P Zn2 O2A 60.5(5) . 50_454 ?
Zn2' Zn2 O2A 60.4(5) . 50_454 ?
O2A Zn2 O2A 97.8(6) 34_544 50_454 ?
O2A Zn2 O2A 97.7(6) 78_445 50_454 ?
Zn2P Zn2 O2B 66.9(5) . 78_445 ?
Zn2' Zn2 O2B 67.0(5) . 78_445 ?
O2A Zn2 O2B 101.9(5) 34_544 78_445 ?
O2A Zn2 O2B 6.6(5) 78_445 78_445 ?
O2A Zn2 O2B 102.1(5) 50_454 78_445 ?
Zn2P Zn2 O2B 67.1(5) . 50_454 ?
Zn2' Zn2 O2B 67.0(5) . 50_454 ?
O2A Zn2 O2B 102.1(5) 34_544 50_454 ?
O2A Zn2 O2B 101.9(5) 78_445 50_454 ?
O2A Zn2 O2B 6.6(5) 50_454 50_454 ?
O2B Zn2 O2B 105.7(5) 78_445 50_454 ?
Zn2P Zn2 O2B 67.1(5) . 34_544 ?
Zn2' Zn2 O2B 67.0(5) . 34_544 ?
O2A Zn2 O2B 6.6(5) 34_544 34_544 ?
O2A Zn2 O2B 102.1(5) 78_445 34_544 ?
O2A Zn2 O2B 101.9(5) 50_454 34_544 ?
O2B Zn2 O2B 105.7(5) 78_445 34_544 ?
O2B Zn2 O2B 105.8(5) 50_454 34_544 ?
Zn2P Zn2 O4 73.8(3) . 50_454 ?
Zn2' Zn2 O4 73.9(3) . 50_454 ?
O2A Zn2 O4 56.23(14) 34_544 50_454 ?
O2A Zn2 O4 56.35(14) 78_445 50_454 ?
O2A Zn2 O4 134.3(8) 50_454 50_454 ?
O2B Zn2 O4 56.51(13) 78_445 50_454 ?
O2B Zn2 O4 140.9(8) 50_454 50_454 ?
O2B Zn2 O4 56.65(13) 34_544 50_454 ?
Zn2P Zn2 O4 73.8(3) . 34_544 ?
Zn2' Zn2 O4 73.9(3) . 34_544 ?
O2A Zn2 O4 134.3(8) 34_544 34_544 ?
O2A Zn2 O4 56.22(14) 78_445 34_544 ?
O2A Zn2 O4 56.37(14) 50_454 34_544 ?
O2B Zn2 O4 56.64(13) 78_445 34_544 ?
O2B Zn2 O4 56.52(13) 50_454 34_544 ?
O2B Zn2 O4 140.9(8) 34_544 34_544 ?
O4 Zn2 O4 112.6(3) 50_454 34_544 ?
Zn2P Zn2 O4 74.0(3) . 78_445 ?
Zn2' Zn2 O4 73.9(3) . 78_445 ?
O2A Zn2 O4 56.41(14) 34_544 78_445 ?
O2A Zn2 O4 134.3(8) 78_445 78_445 ?
O2A Zn2 O4 56.27(14) 50_454 78_445 ?
O2B Zn2 O4 140.9(8) 78_445 78_445 ?
O2B Zn2 O4 56.69(13) 50_454 78_445 ?
O2B Zn2 O4 56.56(13) 34_544 78_445 ?
O4 Zn2 O4 112.6(3) 50_454 78_445 ?
O4 Zn2 O4 112.6(3) 34_544 78_445 ?
Zn2P Zn2 Si 69.4(3) . 55_454 ?
Zn2' Zn2 Si 69.4(3) . 55_454 ?
O2A Zn2 Si 122.1(6) 34_544 55_454 ?
O2A Zn2 Si 80.0(3) 78_445 55_454 ?
O2A Zn2 Si 28.43(6) 50_454 55_454 ?
O2B Zn2 Si 82.3(3) 78_445 55_454 ?
O2B Zn2 Si 27.68(6) 50_454 55_454 ?
O2B Zn2 Si 127.4(6) 34_544 55_454 ?
O4 Zn2 Si 133.0(5) 50_454 55_454 ?
O4 Zn2 Si 28.94(6) 34_544 55_454 ?
O4 Zn2 Si 84.27(19) 78_445 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 O2B 1.619(3) 9 ?
Si O1 1.6240(13) 101 ?
Si O4 1.6278(10) 55_454 ?
Si O3B 1.702(3) . ?
Si O2A 1.743(3) 9 ?
Si O3A 1.741(17) . ?
Si Zn1P 3.0876(6) . ?
Si Zn2P 3.1326(6) 27_544 ?
Si Zn2' 3.172(2) 27_544 ?
Si Zn1' 3.181(7) . ?
Si Zn2 3.340(6) 27_544 ?
Si Zn1 3.4457(6) . ?
O2A Zn2P 1.940(7) 50_454 ?
O2A Zn2' 2.032(7) 50_454 ?
O2A Zn2 2.226(13) 50_454 ?
O2A Zn1' 2.997(11) . ?
O2A Zn1P 3.045(11) . ?
O2B Zn2P 2.302(10) 50_454 ?
O2B Zn2' 2.418(10) 50_454 ?
O2B Zn2 2.499(14) 50_454 ?
O2B Zn1P 2.994(15) . ?
O2B Zn1' 3.024(16) . ?
O3A Zn1P 1.92(4) . ?
O3A Zn1' 2.13(4) . ?
O3A Zn1 2.29(3) . ?
O3B Zn1P 1.944(7) . ?
O3B Zn1' 2.047(12) . ?
O3B Zn1 2.566(6) . ?
O4 Zn2P 2.995(3) 50_454 ?
O4 Zn2' 3.112(5) 50_454 ?
O4 Zn2 3.115(6) 50_454 ?
Zn1 Zn1P 1.689(3) 97 ?
Zn1 Zn1P 1.690(3) . ?
Zn1 Zn1' 2.30(3) 97 ?
Zn1 Zn1' 2.30(3) . ?
Zn1P Zn1' 0.61(3) . ?
Zn2' Zn2P 0.728(13) . ?
Zn2' Zn2 1.72(2) . ?
Zn2P Zn2 0.988(18) . ?
