#------------------------------------------------------------------------------
#$Date: 2021-02-04 05:33:29 +0200 (Thu, 04 Feb 2021) $
#$Revision: 261505 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/99/1559938.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_1559938
loop_
_publ_author_name
'Moon, Dae Jun'
'Lim, Woo Taik'
'Peterson, Brian K.'
'Seff, Karl'
_publ_section_title
;
 Using Crystallography and NMR to Count the Number of Three-Aluminum
 Six-Rings in Fully Zn2+-Exchanged Zeolite Y. These Six-Rings Concentrate
 at Single Six-Ring Positions
;
_journal_issue                   1
_journal_name_full               'The Journal of Physical Chemistry C'
_journal_page_first              583
_journal_page_last               592
_journal_paper_doi               10.1021/acs.jpcc.0c09682
_journal_volume                  125
_journal_year                    2021
_chemical_formula_sum            'O384 Si192 Zn35.51'
_chemical_formula_weight         13858.13
_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                   24.7496(3)
_cell_length_b                   24.7496(3)
_cell_length_c                   24.7496(3)
_cell_measurement_temperature    100(1)
_cell_volume                     15160.2(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 0.944
_diffrn_radiation_wavelength     0.630
_diffrn_reflns_av_R_equivalents  0.0090
_diffrn_reflns_av_unetI/netI     0.0125
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.944
_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            3386
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.944
_diffrn_reflns_theta_full        22.210
_diffrn_reflns_theta_max         33.524
_diffrn_reflns_theta_min         2.063
_exptl_absorpt_coefficient_mu    1.692
_exptl_crystal_density_diffrn    1.518
_exptl_crystal_F_000             6824
_refine_diff_density_max         1.176
_refine_diff_density_min         -0.605
_refine_diff_density_rms         0.143
_refine_ls_extinction_coef       0.00024(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   1.203
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     72
_refine_ls_number_reflns         1949
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.203
_refine_ls_R_factor_all          0.0625
_refine_ls_R_factor_gt           0.0585
_refine_ls_shift/su_max          0.465
_refine_ls_shift/su_mean         0.186
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0661P)²+198.2090P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1744
_refine_ls_wR_factor_ref         0.1780
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1805
_reflns_number_total             1949
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ZnY723-3.cif
_cod_data_source_block           ZnY723-3
_cod_depositor_comments
'Adding full bibliography for 1559931--1559945.cif.'
_cod_original_cell_volume        15160.2(6)
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_database_code               1559938
_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 -0.05248(2) 0.12384(2) 0.03647(2) 0.00819(15) Uani 1 1 d . . . . .
O1 O -0.10297(8) 0.000000 0.10297(8) 0.0362(7) Uani 1 2 d S T P . .
O2A O 0.00326(19) 0.00326(19) 0.1511(3) 0.0110(9) Uani 0.5584 2 d S T P . .
O2B O -0.0058(3) -0.0058(3) 0.1424(4) 0.0138(13) Uani 0.4416 2 d S T P . .
O3A O -0.0295(9) 0.0597(5) 0.0597(5) 0.009(3) Uani 0.135(4) 2 d S T P . .
O3B O -0.02553(19) 0.07114(11) 0.07114(11) 0.0185(7) Uani 0.865(4) 2 d S T P .
.
O4 O 0.07884(7) 0.07884(7) 0.31968(10) 0.0193(4) Uani 1 2 d S T P . .
Zn1 Zn 0.000000 0.000000 0.000000 0.0256(18) Uani 0.135(4) 12 d S T P . .
Zn1P Zn 0.04005(6) 0.04005(6) 0.04005(6) 0.0138(4) Uani 0.383(3) 6 d S T P . .
Zn1' Zn 0.0573(3) 0.0573(3) 0.0573(3) 0.026(3) Uani 0.100(6) 6 d S T P . .
Zn2' Zn 0.2009(2) 0.2009(2) 0.2009(2) 0.009(2) Uani 0.071(4) 6 d S T . . .
Zn2P Zn 0.21794(3) 0.21794(3) 0.21794(3) 0.0079(3) Uani 0.436(4) 6 d S T . . .
Zn2 Zn 0.2437(3) 0.2437(3) 0.2437(3) 0.020(3) Uani 0.051(3) 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 106.2(3) 9 101 ?
O2B Si O4 113.4(3) 9 55_454 ?
O1 Si O4 112.64(13) 101 55_454 ?
O2B Si O3B 105.3(4) 9 . ?
O1 Si O3B 109.78(16) 101 . ?
O4 Si O3B 109.26(16) 55_454 . ?
O2B Si O2A 12.5(3) 9 9 ?
O1 Si O2A 118.01(19) 101 9 ?
O4 Si O2A 103.41(19) 55_454 9 ?
O3B Si O2A 103.0(3) . 9 ?
O2B Si O3A 103.5(8) 9 . ?
O1 Si O3A 98.1(6) 101 . ?
O4 Si O3A 121.1(5) 55_454 . ?
O3B Si O3A 13.3(4) . . ?
O2A Si O3A 104.2(7) 9 . ?
O2B Si Zn1P 71.4(4) 9 . ?
O1 Si Zn1P 111.85(11) 101 . ?
O4 Si Zn1P 131.13(10) 55_454 . ?
O3B Si Zn1P 34.80(13) . . ?
O2A Si Zn1P 71.8(3) 9 . ?
O3A Si Zn1P 32.5(7) . . ?
O2B Si Zn2P 45.0(3) 9 27_544 ?
O1 Si Zn2P 136.90(6) 101 27_544 ?
O4 Si Zn2P 70.27(8) 55_454 27_544 ?
O3B Si Zn2P 109.05(15) . 27_544 ?
O2A Si Zn2P 33.53(15) 9 27_544 ?
O3A Si Zn2P 117.4(7) . 27_544 ?
Zn1P Si Zn2P 90.29(5) . 27_544 ?
O2B Si Zn2' 47.9(3) 9 27_544 ?
O1 Si Zn2' 148.77(15) 101 27_544 ?
O4 Si Zn2' 73.21(9) 55_454 27_544 ?
O3B Si Zn2' 95.8(2) . 27_544 ?
O2A Si Zn2' 35.47(15) 9 27_544 ?
O3A Si Zn2' 104.6(7) . 27_544 ?
Zn1P Si Zn2' 79.27(14) . 27_544 ?
Zn2P Si Zn2' 13.27(16) 27_544 27_544 ?
O2B Si Zn1' 69.4(4) 9 . ?
O1 Si Zn1' 125.1(2) 101 . ?
O4 Si Zn1' 119.1(2) 55_454 . ?
O3B Si Zn1' 36.32(15) . . ?
O2A Si Zn1' 66.8(3) 9 . ?
O3A Si Zn1' 39.0(7) . . ?
Zn1P Si Zn1' 13.2(2) . . ?
Zn2P Si Zn1' 79.80(18) 27_544 . ?
Zn2' Si Zn1' 67.9(2) 27_544 . ?
O2B Si Zn2 46.0(3) 9 27_544 ?
O1 Si Zn2 119.1(2) 101 27_544 ?
O4 Si Zn2 67.96(9) 55_454 27_544 ?
O3B Si Zn2 128.0(3) . 27_544 ?
O2A Si Zn2 38.4(2) 9 27_544 ?
O3A Si Zn2 135.6(7) . 27_544 ?
Zn1P Si Zn2 105.99(18) . 27_544 ?
Zn2P Si Zn2 19.0(2) 27_544 27_544 ?
Zn2' Si Zn2 32.2(3) 27_544 27_544 ?
Zn1' Si Zn2 97.0(3) . 27_544 ?
O2B Si Zn1 79.3(3) 9 . ?
O1 Si Zn1 82.06(10) 101 . ?
O4 Si Zn1 154.94(9) 55_454 . ?
O3B Si Zn1 45.69(13) . . ?
O2A Si Zn1 85.6(2) 9 . ?
O3A Si Zn1 34.2(5) . . ?
Zn1P Si Zn1 29.79(5) . . ?
Zn2P Si Zn1 113.58(2) 27_544 . ?
Zn2' Si Zn1 105.19(11) 27_544 . ?
Zn1' Si Zn1 43.0(2) . . ?
Zn2 Si Zn1 123.96(10) 27_544 . ?
Si O1 Si 142.8(2) 115 105 ?
Si O2A Si 126.7(3) 115 5 ?
Si O2A Zn2P 116.61(15) 115 50_454 ?
Si O2A Zn2P 116.69(15) 5 50_454 ?
Si O2A Zn2' 114.47(17) 115 50_454 ?
Si O2A Zn2' 114.58(17) 5 50_454 ?
Zn2P O2A Zn2' 21.1(2) 50_454 50_454 ?
Si O2A Zn2 113.4(3) 115 50_454 ?
Si O2A Zn2 113.5(3) 5 50_454 ?
Zn2P O2A Zn2 28.7(3) 50_454 50_454 ?
Zn2' O2A Zn2 49.8(4) 50_454 50_454 ?
Si O2A Zn1' 80.9(3) 115 . ?
Si O2A Zn1' 80.9(3) 5 . ?
Zn2P O2A Zn1' 109.5(4) 50_454 . ?
Zn2' O2A Zn1' 88.4(4) 50_454 . ?
Zn2 O2A Zn1' 138.2(4) 50_454 . ?
Si O2A Zn1P 75.2(3) 115 . ?
Si O2A Zn1P 75.2(3) 5 . ?
Zn2P O2A Zn1P 123.5(3) 50_454 . ?
Zn2' O2A Zn1P 102.4(4) 50_454 . ?
Zn2 O2A Zn1P 152.2(4) 50_454 . ?
Zn1' O2A Zn1P 14.0(2) . . ?
Si O2B Si 146.7(6) 115 5 ?
Si O2B Zn2P 105.0(3) 115 50_454 ?
Si O2B Zn2P 104.9(3) 5 50_454 ?
Si O2B Zn2' 102.0(3) 115 50_454 ?
Si O2B Zn2' 102.0(3) 5 50_454 ?
Zn2P O2B Zn2' 17.6(2) 50_454 50_454 ?
Si O2B Zn2 106.7(3) 115 50_454 ?
Si O2B Zn2 106.6(3) 5 50_454 ?
Zn2P O2B Zn2 25.7(3) 50_454 50_454 ?
Zn2' O2B Zn2 43.4(4) 50_454 50_454 ?
Si O2B Zn1P 77.7(3) 115 . ?
Si O2B Zn1P 77.7(3) 5 . ?
Zn2P O2B Zn1P 112.3(3) 50_454 . ?
Zn2' O2B Zn1P 94.7(4) 50_454 . ?
Zn2 O2B Zn1P 138.0(4) 50_454 . ?
Si O2B Zn1' 80.8(4) 115 . ?
Si O2B Zn1' 80.7(4) 5 . ?
Zn2P O2B Zn1' 98.4(4) 50_454 . ?
Zn2' O2B Zn1' 80.7(4) 50_454 . ?
Zn2 O2B Zn1' 124.1(5) 50_454 . ?
Zn1P O2B Zn1' 14.0(2) . . ?
Si O3A Si 118.2(12) 115 . ?
Si O3A Zn1P 116.5(7) 115 . ?
Si O3A Zn1P 116.4(7) . . ?
Si O3A Zn1' 109.6(7) 115 . ?
Si O3A Zn1' 109.6(7) . . ?
Zn1P O3A Zn1' 19.5(3) . . ?
Si O3A Zn1 119.0(5) 115 . ?
Si O3A Zn1 118.9(5) . . ?
Zn1P O3A Zn1 48.9(5) . . ?
Zn1' O3A Zn1 68.4(8) . . ?
Si O3B Si 128.5(3) 115 . ?
Si O3B Zn1P 115.46(13) 115 . ?
Si O3B Zn1P 115.47(13) . . ?
Si O3B Zn1' 115.16(15) 115 . ?
Si O3B Zn1' 115.18(15) . . ?
Zn1P O3B Zn1' 20.5(3) . . ?
Si O3B Zn1 106.08(13) 115 . ?
Si O3B Zn1 106.08(13) . . ?
Zn1P O3B Zn1 41.91(11) . . ?
Zn1' O3B Zn1 62.4(3) . . ?
Si O4 Si 149.07(17) 167_565 34_544 ?
Si O4 Zn2P 79.05(8) 167_565 50_454 ?
Si O4 Zn2P 79.04(8) 34_544 50_454 ?
Si O4 Zn2' 76.78(9) 167_565 50_454 ?
Si O4 Zn2' 76.80(9) 34_544 50_454 ?
Zn2P O4 Zn2' 13.51(16) 50_454 50_454 ?
Si O4 Zn2 83.54(10) 167_565 50_454 ?
Si O4 Zn2 83.50(10) 34_544 50_454 ?
Zn2P O4 Zn2 20.4(2) 50_454 50_454 ?
Zn2' O4 Zn2 33.9(3) 50_454 50_454 ?
Zn1P Zn1 Zn1P 180.0(2) . 97 ?
Zn1P Zn1 O3A 54.5(5) . . ?
Zn1P Zn1 O3A 125.5(5) 97 . ?
Zn1P Zn1 O3A 125.5(5) . 101 ?
Zn1P Zn1 O3A 54.5(5) 97 101 ?
O3A Zn1 O3A 90.3(8) . 101 ?
Zn1P Zn1 O3A 54.5(5) . 5 ?
Zn1P Zn1 O3A 125.5(5) 97 5 ?
O3A Zn1 O3A 89.7(8) . 5 ?
O3A Zn1 O3A 180.0(17) 101 5 ?
Zn1P Zn1 O3A 125.5(5) . 97 ?
Zn1P Zn1 O3A 54.5(5) 97 97 ?
O3A Zn1 O3A 180.0 . 97 ?
O3A Zn1 O3A 89.7(8) 101 97 ?
O3A Zn1 O3A 90.3(8) 5 97 ?
Zn1P Zn1 O3A 125.5(5) . 105 ?
Zn1P Zn1 O3A 54.5(5) 97 105 ?
O3A Zn1 O3A 90.3(8) . 105 ?
O3A Zn1 O3A 89.7(8) 101 105 ?
O3A Zn1 O3A 90.3(8) 5 105 ?
O3A Zn1 O3A 89.7(8) 97 105 ?
Zn1P Zn1 O3A 54.5(5) . 9 ?
Zn1P Zn1 O3A 125.5(5) 97 9 ?
O3A Zn1 O3A 89.7(8) . 9 ?
O3A Zn1 O3A 90.3(8) 101 9 ?
O3A Zn1 O3A 89.7(8) 5 9 ?
O3A Zn1 O3A 90.3(8) 97 9 ?
O3A Zn1 O3A 180.0(17) 105 9 ?
Zn1P Zn1 Zn1' 179.97(10) . 97 ?
Zn1P Zn1 Zn1' 0.03(10) 97 97 ?
O3A Zn1 Zn1' 125.4(5) . 97 ?
O3A Zn1 Zn1' 54.5(5) 101 97 ?
O3A Zn1 Zn1' 125.5(5) 5 97 ?
O3A Zn1 Zn1' 54.6(5) 97 97 ?
O3A Zn1 Zn1' 54.5(5) 105 97 ?
O3A Zn1 Zn1' 125.5(5) 9 97 ?
Zn1P Zn1 Zn1' 0.03(10) . . ?
Zn1P Zn1 Zn1' 179.97(10) 97 . ?
O3A Zn1 Zn1' 54.6(5) . . ?
O3A Zn1 Zn1' 125.5(5) 101 . ?
O3A Zn1 Zn1' 54.5(5) 5 . ?
O3A Zn1 Zn1' 125.4(5) 97 . ?
O3A Zn1 Zn1' 125.5(5) 105 . ?
O3A Zn1 Zn1' 54.5(5) 9 . ?
Zn1' Zn1 Zn1' 180.0(9) 97 . ?
Zn1P Zn1 O3B 49.52(10) . . ?
Zn1P Zn1 O3B 130.48(10) 97 . ?
O3A Zn1 O3B 5.0(6) . . ?
O3A Zn1 O3B 93.8(4) 101 . ?
O3A Zn1 O3B 86.2(4) 5 . ?
O3A Zn1 O3B 175.0(6) 97 . ?
O3A Zn1 O3B 93.9(4) 105 . ?
O3A Zn1 O3B 86.1(4) 9 . ?
Zn1' Zn1 O3B 130.46(10) 97 . ?
Zn1' Zn1 O3B 49.54(10) . . ?
Zn1P Zn1 O3B 130.50(10) . 101 ?
Zn1P Zn1 O3B 49.50(10) 97 101 ?
O3A Zn1 O3B 93.9(4) . 101 ?
O3A Zn1 O3B 5.0(6) 101 101 ?
O3A Zn1 O3B 175.0(6) 5 101 ?
O3A Zn1 O3B 86.1(4) 97 101 ?
O3A Zn1 O3B 86.2(4) 105 101 ?
O3A Zn1 O3B 93.8(4) 9 101 ?
Zn1' Zn1 O3B 49.48(10) 97 101 ?
Zn1' Zn1 O3B 130.52(10) . 101 ?
O3B Zn1 O3B 97.62(15) . 101 ?
Zn1' Zn1P Zn1 179.9(3) . . ?
Zn1' Zn1P O3A 103.4(5) . 9 ?
Zn1 Zn1P O3A 76.5(5) . 9 ?
Zn1' Zn1P O3A 103.4(5) . 5 ?
Zn1 Zn1P O3A 76.5(5) . 5 ?
O3A Zn1P O3A 114.8(4) 9 5 ?
Zn1' Zn1P O3A 103.6(5) . . ?
Zn1 Zn1P O3A 76.5(5) . . ?
O3A Zn1P O3A 114.7(4) 9 . ?
O3A Zn1P O3A 114.7(4) 5 . ?
Zn1' Zn1P O3B 91.36(15) . 9 ?
Zn1 Zn1P O3B 88.59(15) . 9 ?
O3A Zn1P O3B 12.0(5) 9 9 ?
O3A Zn1P O3B 118.69(11) 5 9 ?
O3A Zn1P O3B 118.74(11) . 9 ?
Zn1' Zn1P O3B 91.36(15) . 5 ?
Zn1 Zn1P O3B 88.59(15) . 5 ?
O3A Zn1P O3B 118.77(11) 9 5 ?
O3A Zn1P O3B 12.0(5) 5 5 ?
O3A Zn1P O3B 118.66(11) . 5 ?
O3B Zn1P O3B 119.957(13) 9 5 ?
Zn1' Zn1P O3B 91.52(15) . . ?
Zn1 Zn1P O3B 88.58(15) . . ?
O3A Zn1P O3B 118.66(11) 9 . ?
O3A Zn1P O3B 118.74(11) 5 . ?
O3A Zn1P O3B 12.0(5) . . ?
O3B Zn1P O3B 119.931(13) 9 . ?
O3B Zn1P O3B 119.931(13) 5 . ?
Zn1' Zn1P O2B 86.98(15) . 5 ?
Zn1 Zn1P O2B 92.93(15) . 5 ?
O3A Zn1P O2B 61.77(10) 9 5 ?
O3A Zn1P O2B 61.69(10) 5 5 ?
O3A Zn1P O2B 169.5(5) . 5 ?
O3B Zn1P O2B 60.143(12) 9 5 ?
O3B Zn1P O2B 60.146(13) 5 5 ?
O3B Zn1P O2B 178.5(2) . 5 ?
Zn1' Zn1P O2B 87.13(15) . 9 ?
Zn1 Zn1P O2B 92.91(15) . 9 ?
O3A Zn1P O2B 61.68(10) 9 9 ?
O3A Zn1P O2B 169.5(5) 5 9 ?
O3A Zn1P O2B 61.75(10) . 9 ?
O3B Zn1P O2B 60.134(13) 9 9 ?
O3B Zn1P O2B 178.5(2) 5 9 ?
O3B Zn1P O2B 60.129(13) . 9 ?
O2B Zn1P O2B 119.75(3) 5 9 ?
Zn1' Zn1P O2B 87.13(15) . . ?
Zn1 Zn1P O2B 92.91(15) . . ?
O3A Zn1P O2B 169.5(5) 9 . ?
O3A Zn1P O2B 61.75(10) 5 . ?
O3A Zn1P O2B 61.68(10) . . ?
O3B Zn1P O2B 178.5(2) 9 . ?
O3B Zn1P O2B 60.131(13) 5 . ?
O3B Zn1P O2B 60.132(13) . . ?
O2B Zn1P O2B 119.75(3) 5 . ?
O2B Zn1P O2B 119.73(3) 9 . ?
Zn1' Zn1P O2A 79.90(11) . . ?
Zn1 Zn1P O2A 100.15(11) . . ?
O3A Zn1P O2A 176.7(5) 9 . ?
O3A Zn1P O2A 64.06(16) 5 . ?
O3A Zn1P O2A 64.03(16) . . ?
O3B Zn1P O2A 171.3(2) 9 . ?
O3B Zn1P O2A 60.78(3) 5 . ?
O3B Zn1P O2A 60.83(3) . . ?
O2B Zn1P O2A 118.83(4) 5 . ?
O2B Zn1P O2A 118.86(4) 9 . ?
O2B Zn1P O2A 7.24(15) . . ?
Zn1P Zn1' O3B 68.1(4) . 9 ?
Zn1P Zn1' O3B 68.1(4) . 5 ?
O3B Zn1' O3B 107.0(4) 9 5 ?
Zn1P Zn1' O3B 68.0(4) . . ?
O3B Zn1' O3B 106.9(4) 9 . ?
O3B Zn1' O3B 106.9(4) 5 . ?
Zn1P Zn1' O3A 57.1(6) . 5 ?
O3B Zn1' O3A 100.8(5) 9 5 ?
O3B Zn1' O3A 11.1(4) 5 5 ?
O3B Zn1' O3A 100.7(5) . 5 ?
Zn1P Zn1' O3A 57.1(6) . 9 ?
O3B Zn1' O3A 11.1(4) 9 9 ?
O3B Zn1' O3A 100.8(5) 5 9 ?
O3B Zn1' O3A 100.7(5) . 9 ?
O3A Zn1' O3A 93.3(8) 5 9 ?
Zn1P Zn1' O3A 57.0(6) . . ?
O3B Zn1' O3A 100.8(5) 9 . ?
O3B Zn1' O3A 100.7(5) 5 . ?
O3B Zn1' O3A 11.0(4) . . ?
O3A Zn1' O3A 93.2(8) 5 . ?
O3A Zn1' O3A 93.2(8) 9 . ?
Zn1P Zn1' Zn1 0.1(2) . . ?
O3B Zn1' Zn1 68.1(4) 9 . ?
O3B Zn1' Zn1 68.1(4) 5 . ?
O3B Zn1' Zn1 68.1(4) . . ?
O3A Zn1' Zn1 57.1(6) 5 . ?
O3A Zn1' Zn1 57.1(6) 9 . ?
O3A Zn1' Zn1 57.0(6) . . ?
Zn1P Zn1' O2A 86.1(3) . 9 ?
O3B Zn1' O2A 60.81(6) 9 9 ?
O3B Zn1' O2A 154.2(6) 5 9 ?
O3B Zn1' O2A 60.74(6) . 9 ?
O3A Zn1' O2A 143.2(7) 5 9 ?
O3A Zn1' O2A 62.90(14) 9 9 ?
O3A Zn1' O2A 62.91(14) . 9 ?
Zn1 Zn1' O2A 86.1(3) . 9 ?
Zn1P Zn1' O2A 86.2(3) . 5 ?
O3B Zn1' O2A 60.81(6) 9 5 ?
O3B Zn1' O2A 60.86(6) 5 5 ?
O3B Zn1' O2A 154.3(6) . 5 ?
O3A Zn1' O2A 62.95(14) 5 5 ?
O3A Zn1' O2A 62.97(14) 9 5 ?
O3A Zn1' O2A 143.2(7) . 5 ?
Zn1 Zn1' O2A 86.2(3) . 5 ?
O2A Zn1' O2A 119.58(6) 9 5 ?
Zn1P Zn1' O2A 86.1(3) . . ?
O3B Zn1' O2A 154.2(6) 9 . ?
O3B Zn1' O2A 60.76(6) 5 . ?
O3B Zn1' O2A 60.79(6) . . ?
O3A Zn1' O2A 62.92(14) 5 . ?
O3A Zn1' O2A 143.2(7) 9 . ?
O3A Zn1' O2A 62.88(14) . . ?
Zn1 Zn1' O2A 86.1(3) . . ?
O2A Zn1' O2A 119.50(6) 9 . ?
O2A Zn1' O2A 119.58(6) 5 . ?
Zn1P Zn1' O2B 78.9(3) . 9 ?
O3B Zn1' O2B 58.20(9) 9 9 ?
O3B Zn1' O2B 147.1(6) 5 9 ?
O3B Zn1' O2B 58.19(9) . 9 ?
O3A Zn1' O2B 136.0(7) 5 9 ?
O3A Zn1' O2B 58.89(13) 9 9 ?
O3A Zn1' O2B 58.95(13) . 9 ?
Zn1 Zn1' O2B 78.9(3) . 9 ?
O2A Zn1' O2B 7.18(13) 9 9 ?
O2A Zn1' O2B 118.48(11) 5 9 ?
O2A Zn1' O2B 118.45(11) . 9 ?
Zn2P Zn2' Zn2 0.0(3) . . ?
Zn2P Zn2' O2A 72.8(3) . 34_544 ?
Zn2 Zn2' O2A 72.8(3) . 34_544 ?
Zn2P Zn2' O2A 72.7(3) . 78_445 ?
Zn2 Zn2' O2A 72.8(3) . 78_445 ?
O2A Zn2' O2A 111.6(3) 34_544 78_445 ?
Zn2P Zn2' O2A 72.8(3) . 50_454 ?
Zn2 Zn2' O2A 72.8(3) . 50_454 ?
O2A Zn2' O2A 111.7(3) 34_544 50_454 ?
O2A Zn2' O2A 111.6(3) 78_445 50_454 ?
Zn2P Zn2' O2B 72.3(3) . 34_544 ?
Zn2 Zn2' O2B 72.3(3) . 34_544 ?
O2A Zn2' O2B 0.5(5) 34_544 34_544 ?
O2A Zn2' O2B 111.4(2) 78_445 34_544 ?
O2A Zn2' O2B 111.5(2) 50_454 34_544 ?
Zn2P Zn2' O2B 72.2(3) . 78_445 ?
Zn2 Zn2' O2B 72.2(3) . 78_445 ?
O2A Zn2' O2B 111.4(2) 34_544 78_445 ?
O2A Zn2' O2B 0.5(5) 78_445 78_445 ?
O2A Zn2' O2B 111.4(2) 50_454 78_445 ?
O2B Zn2' O2B 111.2(3) 34_544 78_445 ?
Zn2P Zn2' O2B 72.3(3) . 50_454 ?
Zn2 Zn2' O2B 72.3(3) . 50_454 ?
O2A Zn2' O2B 111.4(2) 34_544 50_454 ?
O2A Zn2' O2B 111.4(2) 78_445 50_454 ?
O2A Zn2' O2B 0.5(5) 50_454 50_454 ?
O2B Zn2' O2B 111.2(3) 34_544 50_454 ?
O2B Zn2' O2B 111.2(3) 78_445 50_454 ?
Zn2P Zn2' O4 74.24(17) . 34_544 ?
Zn2 Zn2' O4 74.24(17) . 34_544 ?
O2A Zn2' O4 147.1(5) 34_544 34_544 ?
O2A Zn2' O4 57.34(7) 78_445 34_544 ?
O2A Zn2' O4 57.29(7) 50_454 34_544 ?
O2B Zn2' O4 146.5(5) 34_544 34_544 ?
O2B Zn2' O4 57.24(7) 78_445 34_544 ?
O2B Zn2' O4 57.26(7) 50_454 34_544 ?
Zn2P Zn2' O4 74.32(17) . 78_445 ?
Zn2 Zn2' O4 74.31(17) . 78_445 ?
O2A Zn2' O4 57.30(7) 34_544 78_445 ?
O2A Zn2' O4 147.1(5) 78_445 78_445 ?
O2A Zn2' O4 57.36(7) 50_454 78_445 ?
O2B Zn2' O4 57.27(7) 34_544 78_445 ?
O2B Zn2' O4 146.6(5) 78_445 78_445 ?
O2B Zn2' O4 57.25(7) 50_454 78_445 ?
O4 Zn2' O4 112.94(15) 34_544 78_445 ?
Zn2P Zn2' O4 74.24(17) . 50_454 ?
Zn2 Zn2' O4 74.24(17) . 50_454 ?
O2A Zn2' O4 57.34(7) 34_544 50_454 ?
O2A Zn2' O4 57.29(7) 78_445 50_454 ?
O2A Zn2' O4 147.1(5) 50_454 50_454 ?
O2B Zn2' O4 57.24(7) 34_544 50_454 ?
O2B Zn2' O4 57.25(7) 78_445 50_454 ?
O2B Zn2' O4 146.5(5) 50_454 50_454 ?
O4 Zn2' O4 112.92(15) 34_544 50_454 ?
O4 Zn2' O4 112.94(15) 78_445 50_454 ?
Zn2P Zn2' Si 80.34(17) . 83_445 ?
Zn2 Zn2' Si 80.35(17) . 83_445 ?
O2A Zn2' Si 87.32(10) 34_544 83_445 ?
O2A Zn2' Si 29.95(5) 78_445 83_445 ?
O2A Zn2' Si 139.9(3) 50_454 83_445 ?
O2B Zn2' Si 87.20(9) 34_544 83_445 ?
O2B Zn2' Si 30.09(5) 78_445 83_445 ?
O2B Zn2' Si 139.6(3) 50_454 83_445 ?
O4 Zn2' Si 87.26(7) 34_544 83_445 ?
O4 Zn2' Si 141.1(2) 78_445 83_445 ?
O4 Zn2' Si 30.00(2) 50_454 83_445 ?
Zn2' Zn2P Zn2 180.0(4) . . ?
Zn2' Zn2P O2A 86.2(2) . 78_445 ?
Zn2 Zn2P O2A 93.8(2) . 78_445 ?
Zn2' Zn2P O2A 86.1(2) . 50_454 ?
Zn2 Zn2P O2A 93.9(2) . 50_454 ?
O2A Zn2P O2A 119.56(6) 78_445 50_454 ?
Zn2' Zn2P O2A 86.1(2) . 34_544 ?
Zn2 Zn2P O2A 93.9(2) . 34_544 ?
O2A Zn2P O2A 119.56(6) 78_445 34_544 ?
O2A Zn2P O2A 119.54(6) 50_454 34_544 ?
Zn2' Zn2P O2B 90.1(3) . 78_445 ?
Zn2 Zn2P O2B 89.9(3) . 78_445 ?
O2A Zn2P O2B 3.9(5) 78_445 78_445 ?
O2A Zn2P O2B 119.899(15) 50_454 78_445 ?
O2A Zn2P O2B 119.974(15) 34_544 78_445 ?
Zn2' Zn2P O2B 90.0(3) . 50_454 ?
Zn2 Zn2P O2B 90.0(3) . 50_454 ?
O2A Zn2P O2B 119.973(15) 78_445 50_454 ?
O2A Zn2P O2B 3.9(5) 50_454 50_454 ?
O2A Zn2P O2B 119.880(15) 34_544 50_454 ?
O2B Zn2P O2B 120.006(1) 78_445 50_454 ?
Zn2' Zn2P O2B 90.0(3) . 34_544 ?
Zn2 Zn2P O2B 90.0(3) . 34_544 ?
O2A Zn2P O2B 119.898(15) 78_445 34_544 ?
O2A Zn2P O2B 119.955(15) 50_454 34_544 ?
O2A Zn2P O2B 3.9(5) 34_544 34_544 ?
O2B Zn2P O2B 120.006(1) 78_445 34_544 ?
O2B Zn2P O2B 119.989(1) 50_454 34_544 ?
Zn2' Zn2P O4 92.25(6) . 34_544 ?
Zn2 Zn2P O4 87.76(6) . 34_544 ?
O2A Zn2P O4 60.31(2) 78_445 34_544 ?
O2A Zn2P O4 60.25(2) 50_454 34_544 ?
O2A Zn2P O4 178.4(3) 34_544 34_544 ?
O2B Zn2P O4 60.018(11) 78_445 34_544 ?
O2B Zn2P O4 60.031(12) 50_454 34_544 ?
O2B Zn2P O4 177.7(3) 34_544 34_544 ?
Zn2' Zn2P O4 92.16(6) . 78_445 ?
Zn2 Zn2P O4 87.81(6) . 78_445 ?
O2A Zn2P O4 178.4(3) 78_445 78_445 ?
O2A Zn2P O4 60.30(2) 50_454 78_445 ?
O2A Zn2P O4 60.24(2) 34_544 78_445 ?
O2B Zn2P O4 177.7(3) 78_445 78_445 ?
O2B Zn2P O4 60.008(11) 50_454 78_445 ?
O2B Zn2P O4 60.024(11) 34_544 78_445 ?
O4 Zn2P O4 119.846(8) 34_544 78_445 ?
Zn2' Zn2P O4 92.25(6) . 50_454 ?
Zn2 Zn2P O4 87.76(6) . 50_454 ?
O2A Zn2P O4 60.25(2) 78_445 50_454 ?
O2A Zn2P O4 178.4(3) 50_454 50_454 ?
O2A Zn2P O4 60.30(2) 34_544 50_454 ?
O2B Zn2P O4 60.034(12) 78_445 50_454 ?
O2B Zn2P O4 177.7(3) 50_454 50_454 ?
O2B Zn2P O4 60.015(12) 34_544 50_454 ?
O4 Zn2P O4 119.859(8) 34_544 50_454 ?
O4 Zn2P O4 119.846(8) 78_445 50_454 ?
Zn2' Zn2P Si 86.39(3) . 83_445 ?
Zn2 Zn2P Si 93.63(3) . 83_445 ?
O2A Zn2P Si 29.771(9) 78_445 83_445 ?
O2A Zn2P Si 148.94(6) 50_454 83_445 ?
O2A Zn2P Si 89.924(18) 34_544 83_445 ?
O2B Zn2P Si 30.08(3) 78_445 83_445 ?
O2B Zn2P Si 149.69(3) 50_454 83_445 ?
O2B Zn2P Si 90.137(18) 34_544 83_445 ?
O4 Zn2P Si 90.011(9) 34_544 83_445 ?
O4 Zn2P Si 150.142(9) 78_445 83_445 ?
O4 Zn2P Si 30.692(13) 50_454 83_445 ?
Zn2P Zn2 Zn2' 0.01(18) . . ?
Zn2P Zn2 O2A 57.4(3) . 34_544 ?
Zn2' Zn2 O2A 57.4(3) . 34_544 ?
Zn2P Zn2 O2A 57.5(3) . 78_445 ?
Zn2' Zn2 O2A 57.5(3) . 78_445 ?
O2A Zn2 O2A 93.8(5) 34_544 78_445 ?
Zn2P Zn2 O2A 57.4(3) . 50_454 ?
Zn2' Zn2 O2A 57.4(3) . 50_454 ?
O2A Zn2 O2A 93.7(5) 34_544 50_454 ?
O2A Zn2 O2A 93.8(5) 78_445 50_454 ?
Zn2P Zn2 O2B 64.4(4) . 78_445 ?
Zn2' Zn2 O2B 64.4(4) . 78_445 ?
O2A Zn2 O2B 98.5(4) 34_544 78_445 ?
O2A Zn2 O2B 6.9(3) 78_445 78_445 ?
O2A Zn2 O2B 98.4(4) 50_454 78_445 ?
Zn2P Zn2 O2B 64.3(3) . 50_454 ?
Zn2' Zn2 O2B 64.3(4) . 50_454 ?
O2A Zn2 O2B 98.4(4) 34_544 50_454 ?
O2A Zn2 O2B 98.5(4) 78_445 50_454 ?
O2A Zn2 O2B 6.9(3) 50_454 50_454 ?
O2B Zn2 O2B 102.6(4) 78_445 50_454 ?
Zn2P Zn2 O2B 64.3(3) . 34_544 ?
Zn2' Zn2 O2B 64.3(4) . 34_544 ?
O2A Zn2 O2B 6.9(3) 34_544 34_544 ?
O2A Zn2 O2B 98.4(4) 78_445 34_544 ?
O2A Zn2 O2B 98.4(4) 50_454 34_544 ?
O2B Zn2 O2B 102.6(4) 78_445 34_544 ?
O2B Zn2 O2B 102.6(4) 50_454 34_544 ?
Zn2P Zn2 O4 71.8(2) . 34_544 ?
Zn2' Zn2 O4 71.8(2) . 34_544 ?
O2A Zn2 O4 129.2(6) 34_544 34_544 ?
O2A Zn2 O4 55.39(12) 78_445 34_544 ?
O2A Zn2 O4 55.34(12) 50_454 34_544 ?
O2B Zn2 O4 55.71(11) 78_445 34_544 ?
O2B Zn2 O4 55.72(11) 50_454 34_544 ?
O2B Zn2 O4 136.1(6) 34_544 34_544 ?
Zn2P Zn2 O4 71.8(2) . 78_445 ?
Zn2' Zn2 O4 71.8(2) . 78_445 ?
O2A Zn2 O4 55.31(12) 34_544 78_445 ?
O2A Zn2 O4 129.2(6) 78_445 78_445 ?
O2A Zn2 O4 55.36(12) 50_454 78_445 ?
O2B Zn2 O4 136.1(6) 78_445 78_445 ?
O2B Zn2 O4 55.68(11) 50_454 78_445 ?
O2B Zn2 O4 55.70(11) 34_544 78_445 ?
O4 Zn2 O4 110.7(2) 34_544 78_445 ?
Zn2P Zn2 O4 71.8(2) . 50_454 ?
Zn2' Zn2 O4 71.8(2) . 50_454 ?
O2A Zn2 O4 55.39(12) 34_544 50_454 ?
O2A Zn2 O4 55.34(12) 78_445 50_454 ?
O2A Zn2 O4 129.2(6) 50_454 50_454 ?
O2B Zn2 O4 55.73(11) 78_445 50_454 ?
O2B Zn2 O4 136.1(6) 50_454 50_454 ?
O2B Zn2 O4 55.70(11) 34_544 50_454 ?
O4 Zn2 O4 110.7(2) 34_544 50_454 ?
O4 Zn2 O4 110.7(2) 78_445 50_454 ?
Zn2P Zn2 Si 67.4(2) . 83_445 ?
Zn2' Zn2 Si 67.4(2) . 83_445 ?
O2A Zn2 Si 78.2(2) 34_544 83_445 ?
O2A Zn2 Si 28.13(5) 78_445 83_445 ?
O2A Zn2 Si 117.7(5) 50_454 83_445 ?
O2B Zn2 Si 27.37(5) 78_445 83_445 ?
O2B Zn2 Si 123.6(5) 50_454 83_445 ?
O2B Zn2 Si 80.5(2) 34_544 83_445 ?
O4 Zn2 Si 82.99(15) 34_544 83_445 ?
O4 Zn2 Si 129.8(4) 78_445 83_445 ?
O4 Zn2 Si 28.54(5) 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 1.625(2) 9 ?
Si O1 1.6261(11) 101 ?
Si O4 1.6287(8) 55_454 ?
Si O3B 1.698(2) . ?
Si O2A 1.741(2) 9 ?
Si O3A 1.783(12) . ?
Si Zn1P 3.0911(5) . ?
Si Zn2P 3.1329(5) 27_544 ?
Si Zn2' 3.1704(16) 27_544 ?
Si Zn1' 3.219(4) . ?
Si Zn2 3.388(5) 27_544 ?
Si Zn1 3.4491(5) . ?
O2A Zn2P 1.937(5) 50_454 ?
O2A Zn2' 2.023(5) 50_454 ?
O2A Zn2 2.294(10) 50_454 ?
O2A Zn1' 2.997(8) . ?
O2A Zn1P 3.037(8) . ?
O2B Zn2P 2.292(7) 50_454 ?
O2B Zn2' 2.405(8) 50_454 ?
O2B Zn2 2.543(10) 50_454 ?
O2B Zn1P 2.999(10) . ?
O2B Zn1' 3.052(11) . ?
O3A Zn1P 1.85(2) . ?
O3A Zn1' 2.15(2) . ?
O3A Zn1 2.21(2) . ?
O3B Zn1P 1.954(4) . ?
O3B Zn1' 2.107(7) . ?
O3B Zn1 2.569(4) . ?
O4 Zn2P 3.003(2) 50_454 ?
O4 Zn2' 3.118(3) 50_454 ?
O4 Zn2 3.159(5) 50_454 ?
Zn1 Zn1P 1.716(3) . ?
Zn1 Zn1P 1.716(3) 97 ?
Zn1 Zn1' 2.453(13) 97 ?
Zn1 Zn1' 2.453(13) . ?
Zn1P Zn1' 0.737(12) . ?
Zn2' Zn2P 0.729(9) . ?
Zn2' Zn2 1.833(17) . ?
Zn2P Zn2 1.104(14) . ?
