#------------------------------------------------------------------------------
#$Date: 2021-02-04 05:33:29 +0200 (Thu, 04 Feb 2021) $
#$Revision: 261505 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/99/1559941.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_1559941
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 Zn36.19'
_chemical_formula_weight         13902.59
_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                   24.7508(3)
_cell_length_b                   24.7508(3)
_cell_length_c                   24.7508(3)
_cell_measurement_temperature    100(1)
_cell_volume                     15162.4(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 0.959
_diffrn_radiation_wavelength     0.630
_diffrn_reflns_av_R_equivalents  0.0112
_diffrn_reflns_av_unetI/netI     0.0137
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.959
_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            3427
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.959
_diffrn_reflns_theta_full        22.210
_diffrn_reflns_theta_max         33.522
_diffrn_reflns_theta_min         2.063
_exptl_absorpt_coefficient_mu    1.717
_exptl_crystal_density_diffrn    1.523
_exptl_crystal_F_000             6844
_refine_diff_density_max         1.163
_refine_diff_density_min         -0.686
_refine_diff_density_rms         0.155
_refine_ls_extinction_coef       0.00028(5)
_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   1.205
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     72
_refine_ls_number_reflns         1981
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.204
_refine_ls_R_factor_all          0.0694
_refine_ls_R_factor_gt           0.0640
_refine_ls_shift/su_max          0.567
_refine_ls_shift/su_mean         0.155
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0662P)²+230.0646P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1831
_refine_ls_wR_factor_ref         0.1880
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1802
_reflns_number_total             1981
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ZnY723-2.cif
_cod_data_source_block           ZnY723-2
_cod_depositor_comments
'Adding full bibliography for 1559931--1559945.cif.'
_cod_original_cell_volume        15162.4(6)
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_database_code               1559941
_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 -0.05246(2) 0.12386(2) 0.03647(2) 0.00868(16) Uani 1 1 d . . . . .
O1 O -0.10294(9) 0.000000 0.10294(9) 0.0367(8) Uani 1 2 d S T P . .
O2A O 0.00326(19) 0.00326(19) 0.1508(3) 0.0118(10) Uani 0.5715 2 d S T P . .
O2B O -0.0061(3) -0.0061(3) 0.1428(4) 0.0132(14) Uani 0.4285 2 d S T P . .
O3A O -0.0306(9) 0.0600(5) 0.0600(5) 0.008(3) Uani 0.128(4) 2 d S T P . .
O3B O -0.02541(18) 0.07119(12) 0.07119(12) 0.0191(7) Uani 0.872(4) 2 d S T P .
.
O4 O 0.07878(8) 0.07878(8) 0.31973(11) 0.0199(5) Uani 1 2 d S T P . .
Zn1 Zn 0.000000 0.000000 0.000000 0.026(2) Uani 0.128(4) 12 d S T P . .
Zn1P Zn 0.04003(6) 0.04003(6) 0.04003(6) 0.0141(4) Uani 0.378(3) 6 d S T P . .
Zn1' Zn 0.0579(3) 0.0579(3) 0.0579(3) 0.028(3) Uani 0.117(6) 6 d S T P . .
Zn2' Zn 0.2007(2) 0.2007(2) 0.2007(2) 0.011(2) Uani 0.079(4) 6 d S T . . .
Zn2P Zn 0.21803(4) 0.21803(4) 0.21803(4) 0.0084(4) Uani 0.419(4) 6 d S T . . .
Zn2 Zn 0.2443(2) 0.2443(2) 0.2443(2) 0.020(2) Uani 0.074(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 112.61(14) 101 55_454 ?
O2B Si O4 113.2(3) 9 55_454 ?
O1 Si O3B 109.84(17) 101 . ?
O2B Si O3B 105.7(4) 9 . ?
O4 Si O3B 109.27(17) 55_454 . ?
O1 Si O2A 117.98(19) 101 9 ?
O2B Si O2A 12.5(3) 9 9 ?
O4 Si O2A 103.7(2) 55_454 9 ?
O3B Si O2A 102.8(3) . 9 ?
O1 Si O3A 97.6(5) 101 . ?
O2B Si O3A 104.7(8) 9 . ?
O4 Si O3A 120.8(6) 55_454 . ?
O3B Si O3A 13.5(4) . . ?
O2A Si O3A 104.8(8) 9 . ?
O1 Si Zn1P 111.79(12) 101 . ?
O2B Si Zn1P 71.9(4) 9 . ?
O4 Si Zn1P 131.22(11) 55_454 . ?
O3B Si Zn1P 34.78(13) . . ?
O2A Si Zn1P 71.5(3) 9 . ?
O3A Si Zn1P 33.3(7) . . ?
O1 Si Zn2P 136.88(6) 101 27_544 ?
O2B Si Zn2P 45.0(3) 9 27_544 ?
O4 Si Zn2P 70.27(9) 55_454 27_544 ?
O3B Si Zn2P 109.03(15) . 27_544 ?
O2A Si Zn2P 33.76(18) 9 27_544 ?
O3A Si Zn2P 118.2(6) . 27_544 ?
Zn1P Si Zn2P 90.36(5) . 27_544 ?
O1 Si Zn2' 148.98(14) 101 27_544 ?
O2B Si Zn2' 48.1(3) 9 27_544 ?
O4 Si Zn2' 73.29(10) 55_454 27_544 ?
O3B Si Zn2' 95.5(2) . 27_544 ?
O2A Si Zn2' 35.68(16) 9 27_544 ?
O3A Si Zn2' 105.1(6) . 27_544 ?
Zn1P Si Zn2' 79.11(14) . 27_544 ?
Zn2P Si Zn2' 13.55(15) 27_544 27_544 ?
O1 Si Zn1' 125.5(2) 101 . ?
O2B Si Zn1' 69.8(4) 9 . ?
O4 Si Zn1' 118.7(2) 55_454 . ?
O3B Si Zn1' 36.38(15) . . ?
O2A Si Zn1' 66.4(3) 9 . ?
O3A Si Zn1' 40.1(7) . . ?
Zn1P Si Zn1' 13.71(18) . . ?
Zn2P Si Zn1' 79.49(16) 27_544 . ?
Zn2' Si Zn1' 67.3(2) 27_544 . ?
O1 Si Zn2 118.78(16) 101 27_544 ?
O2B Si Zn2 45.8(3) 9 27_544 ?
O4 Si Zn2 67.90(9) 55_454 27_544 ?
O3B Si Zn2 128.3(2) . 27_544 ?
O2A Si Zn2 38.8(3) 9 27_544 ?
O3A Si Zn2 136.7(7) . 27_544 ?
Zn1P Si Zn2 106.32(13) . 27_544 ?
Zn2P Si Zn2 19.28(15) 27_544 27_544 ?
Zn2' Si Zn2 32.8(2) 27_544 27_544 ?
Zn1' Si Zn2 97.0(2) . 27_544 ?
O1 Si Zn1 82.01(11) 101 . ?
O2B Si Zn1 79.7(4) 9 . ?
O4 Si Zn1 155.03(10) 55_454 . ?
O3B Si Zn1 45.75(13) . . ?
O2A Si Zn1 85.3(3) 9 . ?
O3A Si Zn1 34.6(6) . . ?
Zn1P Si Zn1 29.78(5) . . ?
Zn2P Si Zn1 113.63(2) 27_544 . ?
Zn2' Si Zn1 105.06(10) 27_544 . ?
Zn1' Si Zn1 43.5(2) . . ?
Zn2 Si Zn1 124.16(7) 27_544 . ?
Si O1 Si 142.9(2) 115 105 ?
Si O2A Si 127.1(4) 115 5 ?
Si O2A Zn2P 116.41(18) 115 50_454 ?
Si O2A Zn2P 116.47(18) 5 50_454 ?
Si O2A Zn2' 114.34(17) 115 50_454 ?
Si O2A Zn2' 114.42(17) 5 50_454 ?
Zn2P O2A Zn2' 21.4(2) 50_454 50_454 ?
Si O2A Zn2 113.0(3) 115 50_454 ?
Si O2A Zn2 113.1(3) 5 50_454 ?
Zn2P O2A Zn2 28.9(2) 50_454 50_454 ?
Zn2' O2A Zn2 50.4(3) 50_454 50_454 ?
Si O2A Zn1' 81.4(3) 115 . ?
Si O2A Zn1' 81.4(3) 5 . ?
Zn2P O2A Zn1' 109.1(4) 50_454 . ?
Zn2' O2A Zn1' 87.7(4) 50_454 . ?
Zn2 O2A Zn1' 138.1(4) 50_454 . ?
Si O2A Zn1P 75.5(3) 115 . ?
Si O2A Zn1P 75.5(3) 5 . ?
Zn2P O2A Zn1P 123.7(3) 50_454 . ?
Zn2' O2A Zn1P 102.3(4) 50_454 . ?
Zn2 O2A Zn1P 152.7(3) 50_454 . ?
Zn1' O2A Zn1P 14.6(2) . . ?
Si O2B Si 146.2(7) 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' 101.8(3) 5 50_454 ?
Zn2P O2B Zn2' 18.0(2) 50_454 50_454 ?
Si O2B Zn2 106.9(3) 115 50_454 ?
Si O2B Zn2 106.9(3) 5 50_454 ?
Zn2P O2B Zn2 26.2(2) 50_454 50_454 ?
Zn2' O2B Zn2 44.2(3) 50_454 50_454 ?
Si O2B Zn1P 77.2(4) 115 . ?
Si O2B Zn1P 77.2(4) 5 . ?
Zn2P O2B Zn1P 112.0(4) 50_454 . ?
Zn2' O2B Zn1P 94.0(4) 50_454 . ?
Zn2 O2B Zn1P 138.2(4) 50_454 . ?
Si O2B Zn1' 80.4(4) 115 . ?
Si O2B Zn1' 80.4(4) 5 . ?
Zn2P O2B Zn1' 97.6(4) 50_454 . ?
Zn2' O2B Zn1' 79.6(4) 50_454 . ?
Zn2 O2B Zn1' 123.8(4) 50_454 . ?
Zn1P O2B Zn1' 14.4(2) . . ?
Si O3A Si 119.6(13) 115 . ?
Si O3A Zn1P 115.6(7) 115 . ?
Si O3A Zn1P 115.6(7) . . ?
Si O3A Zn1' 108.6(7) 115 . ?
Si O3A Zn1' 108.6(7) . . ?
Zn1P O3A Zn1' 19.9(3) . . ?
Si O3A Zn1 118.6(6) 115 . ?
Si O3A Zn1 118.7(6) . . ?
Zn1P O3A Zn1 48.4(5) . . ?
Zn1' O3A Zn1 68.3(8) . . ?
Si O3B Si 128.4(3) 115 . ?
Si O3B Zn1P 115.49(13) 115 . ?
Si O3B Zn1P 115.45(13) . . ?
Si O3B Zn1' 115.17(14) 115 . ?
Si O3B Zn1' 115.14(14) . . ?
Zn1P O3B Zn1' 21.2(3) . . ?
Si O3B Zn1 106.00(14) 115 . ?
Si O3B Zn1 105.98(14) . . ?
Zn1P O3B Zn1 41.88(11) . . ?
Zn1' O3B Zn1 63.1(3) . . ?
Si O4 Si 148.93(19) 167_565 34_544 ?
Si O4 Zn2P 79.03(9) 167_565 50_454 ?
Si O4 Zn2P 79.03(9) 34_544 50_454 ?
Si O4 Zn2' 76.71(9) 167_565 50_454 ?
Si O4 Zn2' 76.73(9) 34_544 50_454 ?
Zn2P O4 Zn2' 13.79(15) 50_454 50_454 ?
Si O4 Zn2 83.61(10) 167_565 50_454 ?
Si O4 Zn2 83.63(10) 34_544 50_454 ?
Zn2P O4 Zn2 20.76(17) 50_454 50_454 ?
Zn2' O4 Zn2 34.5(2) 50_454 50_454 ?
Zn1P Zn1 Zn1P 180.0(2) 97 . ?
Zn1P Zn1 O3A 124.9(5) 97 . ?
Zn1P Zn1 O3A 55.1(5) . . ?
Zn1P Zn1 O3A 55.1(5) 97 101 ?
Zn1P Zn1 O3A 124.9(5) . 101 ?
O3A Zn1 O3A 89.5(7) . 101 ?
Zn1P Zn1 O3A 124.9(5) 97 5 ?
Zn1P Zn1 O3A 55.1(5) . 5 ?
O3A Zn1 O3A 90.5(7) . 5 ?
O3A Zn1 O3A 180.0(17) 101 5 ?
Zn1P Zn1 O3A 55.1(5) 97 105 ?
Zn1P Zn1 O3A 124.9(5) . 105 ?
O3A Zn1 O3A 89.5(7) . 105 ?
O3A Zn1 O3A 90.5(7) 101 105 ?
O3A Zn1 O3A 89.5(7) 5 105 ?
Zn1P Zn1 O3A 124.9(5) 97 9 ?
Zn1P Zn1 O3A 55.1(5) . 9 ?
O3A Zn1 O3A 90.5(7) . 9 ?
O3A Zn1 O3A 89.5(7) 101 9 ?
O3A Zn1 O3A 90.5(7) 5 9 ?
O3A Zn1 O3A 180.0(17) 105 9 ?
Zn1P Zn1 O3A 55.1(5) 97 97 ?
Zn1P Zn1 O3A 124.9(5) . 97 ?
O3A Zn1 O3A 180.0(17) . 97 ?
O3A Zn1 O3A 90.5(7) 101 97 ?
O3A Zn1 O3A 89.5(7) 5 97 ?
O3A Zn1 O3A 90.5(7) 105 97 ?
O3A Zn1 O3A 89.5(7) 9 97 ?
Zn1P Zn1 Zn1' 179.99(10) 97 . ?
Zn1P Zn1 Zn1' 0.01(10) . . ?
O3A Zn1 Zn1' 55.1(5) . . ?
O3A Zn1 Zn1' 124.9(5) 101 . ?
O3A Zn1 Zn1' 55.1(5) 5 . ?
O3A Zn1 Zn1' 124.9(5) 105 . ?
O3A Zn1 Zn1' 55.1(5) 9 . ?
O3A Zn1 Zn1' 124.9(5) 97 . ?
Zn1P Zn1 Zn1' 0.01(10) 97 97 ?
Zn1P Zn1 Zn1' 179.99(10) . 97 ?
O3A Zn1 Zn1' 124.9(5) . 97 ?
O3A Zn1 Zn1' 55.1(5) 101 97 ?
O3A Zn1 Zn1' 124.9(5) 5 97 ?
O3A Zn1 Zn1' 55.1(5) 105 97 ?
O3A Zn1 Zn1' 124.9(5) 9 97 ?
O3A Zn1 Zn1' 55.1(5) 97 97 ?
Zn1' Zn1 Zn1' 180.0(8) . 97 ?
Zn1P Zn1 O3B 49.43(10) 97 105 ?
Zn1P Zn1 O3B 130.57(10) . 105 ?
O3A Zn1 O3B 93.5(4) . 105 ?
O3A Zn1 O3B 86.5(4) 101 105 ?
O3A Zn1 O3B 93.5(4) 5 105 ?
O3A Zn1 O3B 5.7(6) 105 105 ?
O3A Zn1 O3B 174.3(6) 9 105 ?
O3A Zn1 O3B 86.5(4) 97 105 ?
Zn1' Zn1 O3B 130.57(10) . 105 ?
Zn1' Zn1 O3B 49.43(10) 97 105 ?
Zn1P Zn1 O3B 130.57(10) 97 9 ?
Zn1P Zn1 O3B 49.43(10) . 9 ?
O3A Zn1 O3B 86.5(4) . 9 ?
O3A Zn1 O3B 93.5(4) 101 9 ?
O3A Zn1 O3B 86.5(4) 5 9 ?
O3A Zn1 O3B 174.3(6) 105 9 ?
O3A Zn1 O3B 5.7(6) 9 9 ?
O3A Zn1 O3B 93.5(4) 97 9 ?
Zn1' Zn1 O3B 49.43(10) . 9 ?
Zn1' Zn1 O3B 130.57(10) 97 9 ?
O3B Zn1 O3B 180.0(3) 105 9 ?
Zn1' Zn1P Zn1 180.0(3) . . ?
Zn1' Zn1P O3A 103.5(5) . . ?
Zn1 Zn1P O3A 76.5(5) . . ?
Zn1' Zn1P O3A 103.5(5) . 9 ?
Zn1 Zn1P O3A 76.5(5) . 9 ?
O3A Zn1P O3A 114.7(4) . 9 ?
Zn1' Zn1P O3A 103.5(5) . 5 ?
Zn1 Zn1P O3A 76.5(5) . 5 ?
O3A Zn1P O3A 114.7(4) . 5 ?
O3A Zn1P O3A 114.7(4) 9 5 ?
Zn1' Zn1P O3B 91.32(15) . 9 ?
Zn1 Zn1P O3B 88.69(15) . 9 ?
O3A Zn1P O3B 118.71(11) . 9 ?
O3A Zn1P O3B 12.2(4) 9 9 ?
O3A Zn1P O3B 118.75(11) 5 9 ?
Zn1' Zn1P O3B 91.32(15) . 5 ?
Zn1 Zn1P O3B 88.69(15) . 5 ?
O3A Zn1P O3B 118.75(11) . 5 ?
O3A Zn1P O3B 118.71(11) 9 5 ?
O3A Zn1P O3B 12.2(4) 5 5 ?
O3B Zn1P O3B 119.949(12) 9 5 ?
Zn1' Zn1P O3B 91.27(15) . . ?
Zn1 Zn1P O3B 88.69(15) . . ?
O3A Zn1P O3B 12.2(4) . . ?
O3A Zn1P O3B 118.75(11) 9 . ?
O3A Zn1P O3B 118.71(11) 5 . ?
O3B Zn1P O3B 119.948(12) 9 . ?
O3B Zn1P O3B 119.948(12) 5 . ?
Zn1' Zn1P O2B 87.14(16) . . ?
Zn1 Zn1P O2B 92.84(16) . . ?
O3A Zn1P O2B 61.72(10) . . ?
O3A Zn1P O2B 169.3(5) 9 . ?
O3A Zn1P O2B 61.70(10) 5 . ?
O3B Zn1P O2B 178.5(2) 9 . ?
O3B Zn1P O2B 60.134(13) 5 . ?
O3B Zn1P O2B 60.114(13) . . ?
Zn1' Zn1P O2B 87.14(16) . 9 ?
Zn1 Zn1P O2B 92.84(16) . 9 ?
O3A Zn1P O2B 61.70(10) . 9 ?
O3A Zn1P O2B 61.72(10) 9 9 ?
O3A Zn1P O2B 169.3(5) 5 9 ?
O3B Zn1P O2B 60.114(13) 9 9 ?
O3B Zn1P O2B 178.5(2) 5 9 ?
O3B Zn1P O2B 60.134(13) . 9 ?
O2B Zn1P O2B 119.76(3) . 9 ?
Zn1' Zn1P O2B 87.19(16) . 5 ?
Zn1 Zn1P O2B 92.84(16) . 5 ?
O3A Zn1P O2B 169.3(5) . 5 ?
O3A Zn1P O2B 61.70(10) 9 5 ?
O3A Zn1P O2B 61.72(10) 5 5 ?
O3B Zn1P O2B 60.135(13) 9 5 ?
O3B Zn1P O2B 60.114(13) 5 5 ?
O3B Zn1P O2B 178.5(2) . 5 ?
O2B Zn1P O2B 119.76(3) . 5 ?
O2B Zn1P O2B 119.76(3) 9 5 ?
Zn1' Zn1P O2A 79.88(11) . 9 ?
Zn1 Zn1P O2A 100.10(11) . 9 ?
O3A Zn1P O2A 64.03(16) . 9 ?
O3A Zn1P O2A 64.06(16) 9 9 ?
O3A Zn1P O2A 176.6(5) 5 9 ?
O3B Zn1P O2A 60.78(3) 9 9 ?
O3B Zn1P O2A 171.2(2) 5 9 ?
O3B Zn1P O2A 60.78(3) . 9 ?
O2B Zn1P O2A 118.87(5) . 9 ?
O2B Zn1P O2A 7.26(16) 9 9 ?
O2B Zn1P O2A 118.89(5) 5 9 ?
Zn1P Zn1' O3B 67.4(3) . 5 ?
Zn1P Zn1' O3B 67.4(3) . 9 ?
O3B Zn1' O3B 106.2(4) 5 9 ?
Zn1P Zn1' O3B 67.5(3) . . ?
O3B Zn1' O3B 106.2(4) 5 . ?
O3B Zn1' O3B 106.2(4) 9 . ?
Zn1P Zn1' O3A 56.7(5) . . ?
O3B Zn1' O3A 100.1(5) 5 . ?
O3B Zn1' O3A 100.1(5) 9 . ?
O3B Zn1' O3A 10.8(4) . . ?
Zn1P Zn1' O3A 56.6(5) . 9 ?
O3B Zn1' O3A 100.0(5) 5 9 ?
O3B Zn1' O3A 10.8(4) 9 9 ?
O3B Zn1' O3A 100.1(5) . 9 ?
O3A Zn1' O3A 92.7(7) . 9 ?
Zn1P Zn1' O3A 56.6(5) . 5 ?
O3B Zn1' O3A 10.8(4) 5 5 ?
O3B Zn1' O3A 100.1(5) 9 5 ?
O3B Zn1' O3A 100.1(5) . 5 ?
O3A Zn1' O3A 92.7(7) . 5 ?
O3A Zn1' O3A 92.6(7) 9 5 ?
Zn1P Zn1' Zn1 0.0(2) . . ?
O3B Zn1' Zn1 67.5(3) 5 . ?
O3B Zn1' Zn1 67.5(3) 9 . ?
O3B Zn1' Zn1 67.5(3) . . ?
O3A Zn1' Zn1 56.6(5) . . ?
O3A Zn1' Zn1 56.6(5) 9 . ?
O3A Zn1' Zn1 56.6(5) 5 . ?
Zn1P Zn1' O2A 85.5(2) . 9 ?
O3B Zn1' O2A 153.0(6) 5 9 ?
O3B Zn1' O2A 60.63(6) 9 9 ?
O3B Zn1' O2A 60.64(6) . 9 ?
O3A Zn1' O2A 62.64(14) . 9 ?
O3A Zn1' O2A 62.67(14) 9 9 ?
O3A Zn1' O2A 142.1(7) 5 9 ?
Zn1 Zn1' O2A 85.5(2) . 9 ?
Zn1P Zn1' O2A 85.5(2) . 5 ?
O3B Zn1' O2A 60.62(6) 5 5 ?
O3B Zn1' O2A 60.62(6) 9 5 ?
O3B Zn1' O2A 153.0(6) . 5 ?
O3A Zn1' O2A 142.1(7) . 5 ?
O3A Zn1' O2A 62.63(14) 9 5 ?
O3A Zn1' O2A 62.66(14) 5 5 ?
Zn1 Zn1' O2A 85.5(2) . 5 ?
O2A Zn1' O2A 119.39(7) 9 5 ?
Zn1P Zn1' O2A 85.5(2) . . ?
O3B Zn1' O2A 60.63(6) 5 . ?
O3B Zn1' O2A 153.0(6) 9 . ?
O3B Zn1' O2A 60.64(6) . . ?
O3A Zn1' O2A 62.67(14) . . ?
O3A Zn1' O2A 142.1(7) 9 . ?
O3A Zn1' O2A 62.64(14) 5 . ?
Zn1 Zn1' O2A 85.5(2) . . ?
O2A Zn1' O2A 119.41(7) 9 . ?
O2A Zn1' O2A 119.39(7) 5 . ?
Zn1P Zn1' O2B 78.4(3) . 9 ?
O3B Zn1' O2B 145.9(6) 5 9 ?
O3B Zn1' O2B 58.03(9) 9 9 ?
O3B Zn1' O2B 58.05(9) . 9 ?
O3A Zn1' O2B 58.70(13) . 9 ?
O3A Zn1' O2B 58.71(13) 9 9 ?
O3A Zn1' O2B 135.1(7) 5 9 ?
Zn1 Zn1' O2B 78.4(3) . 9 ?
O2A Zn1' O2B 7.08(16) 9 9 ?
O2A Zn1' O2B 118.19(11) 5 9 ?
O2A Zn1' O2B 118.23(11) . 9 ?
Zn2P Zn2' Zn2 0.05(18) . . ?
Zn2P Zn2' O2A 72.7(3) . 34_544 ?
Zn2 Zn2' O2A 72.7(3) . 34_544 ?
Zn2P Zn2' O2A 72.6(3) . 78_445 ?
Zn2 Zn2' O2A 72.7(3) . 78_445 ?
O2A Zn2' O2A 111.5(3) 34_544 78_445 ?
Zn2P Zn2' O2A 72.7(3) . 50_454 ?
Zn2 Zn2' O2A 72.7(3) . 50_454 ?
O2A Zn2' O2A 111.6(3) 34_544 50_454 ?
O2A Zn2' O2A 111.5(3) 78_445 50_454 ?
Zn2P Zn2' O2B 71.7(3) . 78_445 ?
Zn2 Zn2' O2B 71.7(3) . 78_445 ?
O2A Zn2' O2B 111.1(2) 34_544 78_445 ?
O2A Zn2' O2B 1.0(5) 78_445 78_445 ?
O2A Zn2' O2B 111.1(2) 50_454 78_445 ?
Zn2P Zn2' O2B 71.7(3) . 50_454 ?
Zn2 Zn2' O2B 71.7(3) . 50_454 ?
O2A Zn2' O2B 111.1(2) 34_544 50_454 ?
O2A Zn2' O2B 111.1(2) 78_445 50_454 ?
O2A Zn2' O2B 1.0(5) 50_454 50_454 ?
O2B Zn2' O2B 110.6(3) 78_445 50_454 ?
Zn2P Zn2' O2B 71.7(3) . 34_544 ?
Zn2 Zn2' O2B 71.7(3) . 34_544 ?
O2A Zn2' O2B 1.0(5) 34_544 34_544 ?
O2A Zn2' O2B 111.1(2) 78_445 34_544 ?
O2A Zn2' O2B 111.1(2) 50_454 34_544 ?
O2B Zn2' O2B 110.6(3) 78_445 34_544 ?
O2B Zn2' O2B 110.6(3) 50_454 34_544 ?
Zn2P Zn2' O4 73.99(16) . 34_544 ?
Zn2 Zn2' O4 74.01(16) . 34_544 ?
O2A Zn2' O4 146.7(5) 34_544 34_544 ?
O2A Zn2' O4 57.26(7) 78_445 34_544 ?
O2A Zn2' O4 57.24(7) 50_454 34_544 ?
O2B Zn2' O4 57.11(7) 78_445 34_544 ?
O2B Zn2' O4 57.12(7) 50_454 34_544 ?
O2B Zn2' O4 145.7(4) 34_544 34_544 ?
Zn2P Zn2' O4 74.04(16) . 78_445 ?
Zn2 Zn2' O4 73.99(16) . 78_445 ?
O2A Zn2' O4 57.26(7) 34_544 78_445 ?
O2A Zn2' O4 146.7(5) 78_445 78_445 ?
O2A Zn2' O4 57.29(7) 50_454 78_445 ?
O2B Zn2' O4 145.7(4) 78_445 78_445 ?
O2B Zn2' O4 57.13(7) 50_454 78_445 ?
O2B Zn2' O4 57.13(7) 34_544 78_445 ?
O4 Zn2' O4 112.72(14) 34_544 78_445 ?
Zn2P Zn2' O4 73.99(16) . 50_454 ?
Zn2 Zn2' O4 74.01(16) . 50_454 ?
O2A Zn2' O4 57.26(7) 34_544 50_454 ?
O2A Zn2' O4 57.23(7) 78_445 50_454 ?
O2A Zn2' O4 146.7(5) 50_454 50_454 ?
O2B Zn2' O4 57.11(7) 78_445 50_454 ?
O2B Zn2' O4 145.7(4) 50_454 50_454 ?
O2B Zn2' O4 57.12(7) 34_544 50_454 ?
O4 Zn2' O4 112.69(14) 34_544 50_454 ?
O4 Zn2' O4 112.72(14) 78_445 50_454 ?
Zn2P Zn2' Si 80.14(16) . 83_445 ?
Zn2 Zn2' Si 80.18(16) . 83_445 ?
O2A Zn2' Si 87.22(9) 34_544 83_445 ?
O2A Zn2' Si 29.92(5) 78_445 83_445 ?
O2A Zn2' Si 139.7(3) 50_454 83_445 ?
O2B Zn2' Si 30.12(6) 78_445 83_445 ?
O2B Zn2' Si 139.1(3) 50_454 83_445 ?
O2B Zn2' Si 87.05(9) 34_544 83_445 ?
O4 Zn2' Si 87.16(7) 34_544 83_445 ?
O4 Zn2' Si 140.8(2) 78_445 83_445 ?
O4 Zn2' Si 29.98(2) 50_454 83_445 ?
Zn2' Zn2P Zn2 179.9(3) . . ?
Zn2' Zn2P O2A 85.9(3) . 34_544 ?
Zn2 Zn2P O2A 94.1(3) . 34_544 ?
Zn2' Zn2P O2A 85.9(3) . 78_445 ?
Zn2 Zn2P O2A 94.2(3) . 78_445 ?
O2A Zn2P O2A 119.48(6) 34_544 78_445 ?
Zn2' Zn2P O2A 85.9(3) . 50_454 ?
Zn2 Zn2P O2A 94.1(3) . 50_454 ?
O2A Zn2P O2A 119.49(6) 34_544 50_454 ?
O2A Zn2P O2A 119.48(6) 78_445 50_454 ?
Zn2' Zn2P O2B 90.3(3) . 34_544 ?
Zn2 Zn2P O2B 89.7(3) . 34_544 ?
O2A Zn2P O2B 4.4(5) 34_544 34_544 ?
O2A Zn2P O2B 119.922(17) 78_445 34_544 ?
O2A Zn2P O2B 119.962(17) 50_454 34_544 ?
Zn2' Zn2P O2B 90.4(3) . 78_445 ?
Zn2 Zn2P O2B 89.7(3) . 78_445 ?
O2A Zn2P O2B 119.951(17) 34_544 78_445 ?
O2A Zn2P O2B 4.4(5) 78_445 78_445 ?
O2A Zn2P O2B 119.921(17) 50_454 78_445 ?
O2B Zn2P O2B 119.994(6) 34_544 78_445 ?
Zn2' Zn2P O2B 90.3(3) . 50_454 ?
Zn2 Zn2P O2B 89.7(3) . 50_454 ?
O2A Zn2P O2B 119.932(17) 34_544 50_454 ?
O2A Zn2P O2B 119.952(17) 78_445 50_454 ?
O2A Zn2P O2B 4.4(5) 50_454 50_454 ?
O2B Zn2P O2B 120.003(5) 34_544 50_454 ?
O2B Zn2P O2B 119.994(5) 78_445 50_454 ?
Zn2' Zn2P O4 92.23(6) . 34_544 ?
Zn2 Zn2P O4 87.81(6) . 34_544 ?
O2A Zn2P O4 178.1(3) 34_544 34_544 ?
O2A Zn2P O4 60.31(2) 78_445 34_544 ?
O2A Zn2P O4 60.28(2) 50_454 34_544 ?
O2B Zn2P O4 177.5(3) 34_544 34_544 ?
O2B Zn2P O4 60.008(11) 78_445 34_544 ?
O2B Zn2P O4 60.011(12) 50_454 34_544 ?
Zn2' Zn2P O4 92.17(6) . 78_445 ?
Zn2 Zn2P O4 87.76(6) . 78_445 ?
O2A Zn2P O4 60.28(2) 34_544 78_445 ?
O2A Zn2P O4 178.1(3) 78_445 78_445 ?
O2A Zn2P O4 60.31(2) 50_454 78_445 ?
O2B Zn2P O4 60.015(11) 34_544 78_445 ?
O2B Zn2P O4 177.5(3) 78_445 78_445 ?
O2B Zn2P O4 60.013(12) 50_454 78_445 ?
O4 Zn2P O4 119.855(8) 34_544 78_445 ?
Zn2' Zn2P O4 92.23(6) . 50_454 ?
Zn2 Zn2P O4 87.81(6) . 50_454 ?
O2A Zn2P O4 60.31(2) 34_544 50_454 ?
O2A Zn2P O4 60.28(2) 78_445 50_454 ?
O2A Zn2P O4 178.1(3) 50_454 50_454 ?
O2B Zn2P O4 60.010(12) 34_544 50_454 ?
O2B Zn2P O4 60.009(12) 78_445 50_454 ?
O2B Zn2P O4 177.5(3) 50_454 50_454 ?
O4 Zn2P O4 119.848(8) 34_544 50_454 ?
O4 Zn2P O4 119.855(8) 78_445 50_454 ?
Zn2' Zn2P Si 86.31(3) . 83_445 ?
Zn2 Zn2P Si 93.75(3) . 83_445 ?
O2A Zn2P Si 89.883(19) 34_544 83_445 ?
O2A Zn2P Si 29.776(9) 78_445 83_445 ?
O2A Zn2P Si 148.86(7) 50_454 83_445 ?
O2B Zn2P Si 90.16(2) 34_544 83_445 ?
O2B Zn2P Si 30.11(4) 78_445 83_445 ?
O2B Zn2P Si 149.69(4) 50_454 83_445 ?
O4 Zn2P Si 90.000(10) 34_544 83_445 ?
O4 Zn2P Si 150.144(10) 78_445 83_445 ?
O4 Zn2P Si 30.699(14) 50_454 83_445 ?
Zn2P Zn2 Zn2' 0.03(12) . . ?
Zn2P Zn2 O2A 56.9(3) . 34_544 ?
Zn2' Zn2 O2A 56.9(3) . 34_544 ?
Zn2P Zn2 O2A 56.9(3) . 78_445 ?
Zn2' Zn2 O2A 56.9(3) . 78_445 ?
O2A Zn2 O2A 93.0(4) 34_544 78_445 ?
Zn2P Zn2 O2A 56.9(3) . 50_454 ?
Zn2' Zn2 O2A 56.9(3) . 50_454 ?
O2A Zn2 O2A 93.1(4) 34_544 50_454 ?
O2A Zn2 O2A 93.0(4) 78_445 50_454 ?
Zn2P Zn2 O2B 64.1(3) . 78_445 ?
Zn2' Zn2 O2B 64.1(3) . 78_445 ?
O2A Zn2 O2B 98.0(3) 34_544 78_445 ?
O2A Zn2 O2B 7.2(3) 78_445 78_445 ?
O2A Zn2 O2B 98.0(3) 50_454 78_445 ?
Zn2P Zn2 O2B 64.1(3) . 50_454 ?
Zn2' Zn2 O2B 64.1(3) . 50_454 ?
O2A Zn2 O2B 98.0(3) 34_544 50_454 ?
O2A Zn2 O2B 98.0(3) 78_445 50_454 ?
O2A Zn2 O2B 7.2(3) 50_454 50_454 ?
O2B Zn2 O2B 102.4(4) 78_445 50_454 ?
Zn2P Zn2 O2B 64.1(3) . 34_544 ?
Zn2' Zn2 O2B 64.1(3) . 34_544 ?
O2A Zn2 O2B 7.2(3) 34_544 34_544 ?
O2A Zn2 O2B 98.0(3) 78_445 34_544 ?
O2A Zn2 O2B 98.0(3) 50_454 34_544 ?
O2B Zn2 O2B 102.4(4) 78_445 34_544 ?
O2B Zn2 O2B 102.4(4) 50_454 34_544 ?
Zn2P Zn2 O4 71.43(17) . 34_544 ?
Zn2' Zn2 O4 71.44(17) . 34_544 ?
O2A Zn2 O4 128.4(4) 34_544 34_544 ?
O2A Zn2 O4 55.19(8) 78_445 34_544 ?
O2A Zn2 O4 55.17(8) 50_454 34_544 ?
O2B Zn2 O4 55.56(8) 78_445 34_544 ?
O2B Zn2 O4 55.57(8) 50_454 34_544 ?
O2B Zn2 O4 135.6(4) 34_544 34_544 ?
Zn2P Zn2 O4 71.47(17) . 78_445 ?
Zn2' Zn2 O4 71.44(17) . 78_445 ?
O2A Zn2 O4 55.19(8) 34_544 78_445 ?
O2A Zn2 O4 128.4(4) 78_445 78_445 ?
O2A Zn2 O4 55.22(8) 50_454 78_445 ?
O2B Zn2 O4 135.6(4) 78_445 78_445 ?
O2B Zn2 O4 55.59(8) 50_454 78_445 ?
O2B Zn2 O4 55.59(8) 34_544 78_445 ?
O4 Zn2 O4 110.38(17) 34_544 78_445 ?
Zn2P Zn2 O4 71.43(17) . 50_454 ?
Zn2' Zn2 O4 71.44(17) . 50_454 ?
O2A Zn2 O4 55.19(8) 34_544 50_454 ?
O2A Zn2 O4 55.17(8) 78_445 50_454 ?
O2A Zn2 O4 128.4(4) 50_454 50_454 ?
O2B Zn2 O4 55.56(8) 78_445 50_454 ?
O2B Zn2 O4 135.6(4) 50_454 50_454 ?
O2B Zn2 O4 55.57(8) 34_544 50_454 ?
O4 Zn2 O4 110.35(17) 34_544 50_454 ?
O4 Zn2 O4 110.38(17) 78_445 50_454 ?
Zn2P Zn2 Si 67.03(15) . 27_544 ?
Zn2' Zn2 Si 67.01(15) . 27_544 ?
O2A Zn2 Si 28.10(5) 34_544 27_544 ?
O2A Zn2 Si 117.0(3) 78_445 27_544 ?
O2A Zn2 Si 77.83(16) 50_454 27_544 ?
O2B Zn2 Si 123.1(3) 78_445 27_544 ?
O2B Zn2 Si 80.32(15) 50_454 27_544 ?
O2B Zn2 Si 27.29(3) 34_544 27_544 ?
O4 Zn2 Si 129.2(3) 34_544 27_544 ?
O4 Zn2 Si 28.48(4) 78_445 27_544 ?
O4 Zn2 Si 82.74(11) 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 1.6260(11) 101 ?
Si O2B 1.626(3) 9 ?
Si O4 1.6290(9) 55_454 ?
Si O3B 1.699(2) . ?
Si O2A 1.738(3) 9 ?
Si O3A 1.769(12) . ?
Si Zn1P 3.0909(6) . ?
Si Zn2P 3.1323(5) 27_544 ?
Si Zn2' 3.1718(16) 27_544 ?
Si Zn1' 3.226(4) . ?
Si Zn2 3.395(4) 27_544 ?
Si Zn1 3.4494(5) . ?
O2A Zn2P 1.944(6) 50_454 ?
O2A Zn2' 2.031(6) 50_454 ?
O2A Zn2 2.314(10) 50_454 ?
O2A Zn1' 2.990(9) . ?
O2A Zn1P 3.028(9) . ?
O2B Zn2P 2.291(9) 50_454 ?
O2B Zn2' 2.412(9) 50_454 ?
O2B Zn2 2.545(11) 50_454 ?
O2B Zn1P 3.012(11) . ?
O2B Zn1' 3.071(12) . ?
O3A Zn1P 1.88(2) . ?
O3A Zn1' 2.19(2) . ?
O3A Zn1 2.23(2) . ?
O3B Zn1P 1.953(4) . ?
O3B Zn1' 2.113(6) . ?
O3B Zn1 2.570(4) . ?
O4 Zn2P 3.004(3) 50_454 ?
O4 Zn2' 3.122(4) 50_454 ?
O4 Zn2 3.166(4) 50_454 ?
Zn1 Zn1P 1.716(3) 97 ?
Zn1 Zn1P 1.716(3) . ?
Zn1 Zn1' 2.482(12) . ?
Zn1 Zn1' 2.482(12) 97 ?
Zn1P Zn1' 0.766(11) . ?
Zn2' Zn2P 0.745(8) . ?
Zn2' Zn2 1.868(13) . ?
Zn2P Zn2 1.123(10) . ?
