#------------------------------------------------------------------------------
#$Date: 2016-04-05 21:13:24 +0300 (Tue, 05 Apr 2016) $
#$Revision: 181746 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/06/1540677.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_1540677
loop_
_publ_author_name
'Pham, Tung Cao Thanh'
'Docao, Son'
'Hwang, In Chul'
'Song, Mee Kyung'
'Choi, Do Young'
'Moon, Dohyun'
'Oleynikov, Peter'
'Yoon, Kyung Byung'
_publ_section_title
;
 Capture of iodine and organic iodides using silica zeolites and the
 semiconductor behaviour of iodine in a silica zeolite
;
_journal_issue                   3
_journal_name_full               'Energy Environ. Sci.'
_journal_page_first              1050
_journal_paper_doi               10.1039/C5EE02843D
_journal_volume                  9
_journal_year                    2016
_chemical_formula_moiety         'I24 O192 Si96'
_chemical_formula_sum            'I24 O192 Si96'
_chemical_formula_weight         8814.24
_chemical_name_common            I2@SL-1
_chemical_name_systematic        'Iodine silicalite-1'
_chemical_properties_physical    Heat-sensitive
_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-07-07 deposited with the CCDC.
2015-12-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   20.100(4)
_cell_length_b                   19.912(4)
_cell_length_c                   13.386(3)
_cell_measurement_temperature    296(2)
_cell_volume                     5357.5(19)
_computing_cell_refinement       'HKL3000 (Z. Otwinowski and W. Minor, 1997)'
_computing_data_collection       'PAL ADSC Quantum-210 ADX Program'
_computing_data_reduction        'HKL3000 (Z. Otwinowski and W. Minor, 1997)'
_computing_molecular_graphics    'Diamond 3.2f'
_computing_publication_material  'Diamond 3.2f'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 4096
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       ω-scan
_diffrn_radiation_source         'PLSII 2D bending magnet'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.670
_diffrn_reflns_av_R_equivalents  0.0625
_diffrn_reflns_av_unetI/netI     0.0386
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            54210
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        23.703
_diffrn_reflns_theta_max         30.000
_diffrn_reflns_theta_min         1.728
_exptl_absorpt_coefficient_mu    3.264
_exptl_absorpt_correction_T_max  0.9681
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'HKL3000 Scalepack'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.732
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cubic
_exptl_crystal_F_000             4152
_exptl_crystal_preparation       'I2 absorbency'
_exptl_crystal_recrystallization_method 'Vapour Deposition'
_exptl_crystal_size_max          0.020
_exptl_crystal_size_mid          0.010
_exptl_crystal_size_min          0.010
_refine_diff_density_max         1.736
_refine_diff_density_min         -1.709
_refine_diff_density_rms         0.173
_refine_ls_extinction_coef       0.00161(16)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014)'
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     414
_refine_ls_number_reflns         9496
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0926
_refine_ls_R_factor_gt           0.0616
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0740P)²+23.9834P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1559
_refine_ls_wR_factor_ref         0.1716
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6414
_reflns_number_total             9496
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5ee02843d1.cif
_cod_data_source_block           I2SL-1
_cod_depositor_comments
'Adding full bibliography for 1540676--1540679.cif.'
_cod_database_code               1540677
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_min   0.938
_shelx_estimated_absorpt_t_max   0.968
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'
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
I1 I 0.50283(3) 0.06469(3) 0.02247(6) 0.0861(2) Uani 1 1 d . . . . .
I2A I 0.4933(2) 0.2500 1.0446(3) 0.0939(9) Uani 0.4702(19) 2 d DS T P A 1
I3A I 0.52708(17) 0.2500 0.8498(3) 0.1276(12) Uani 0.4702(19) 2 d DS T P A 1
I4A I 0.81795(19) 0.2500 0.66846(19) 0.1259(12) Uani 0.4702(19) 2 d DS T P A 1
I5A I 0.6884(4) 0.2500 0.6191(6) 0.166(4) Uani 0.4702(19) 2 d DS T P A 1
I2B I 0.4954(11) 0.2500 1.0249 0.245(8) Uani 0.303(2) 2 d DS TU P B 2
I3B I 0.4574(7) 0.2500 0.8325(7) 0.217(5) Uani 0.303(2) 2 d DS TU P B 2
I4B I 0.7226(6) 0.2500 0.6280(7) 0.176(4) Uani 0.303(2) 2 d DS TU P B 2
I5B I 0.5952(3) 0.2500 0.6877(4) 0.131(2) Uani 0.303(2) 2 d DS TU P B 2
I2C I 0.5236(4) 0.2500 1.0063 0.0947(19) Uani 0.226(2) 2 d DS T P C 3
I3C I 0.4178(6) 0.2500 0.8823(12) 0.212(7) Uani 0.226(2) 2 d DS T P C 3
I4C I 0.6996(4) 0.2500 0.6076(15) 0.104(4) Uani 0.226(2) 2 d DS T P C 3
I5C I 0.5629(3) 0.2500 0.6244(4) 0.0847(16) Uani 0.226(2) 2 d DS T P C 3
Si1 Si 0.11980(4) 0.82683(4) 1.03069(7) 0.01039(17) Uani 1 1 d . . . . .
Si2 Si 0.27406(4) 0.82768(4) 1.03421(7) 0.01033(17) Uani 1 1 d . . . . .
Si3 Si 0.30932(4) 0.87089(4) 0.81914(7) 0.01076(17) Uani 1 1 d . . . . .
Si4 Si 0.42328(4) 0.82782(4) 0.67648(7) 0.00892(17) Uani 1 1 d . . . . .
Si5 Si 0.37769(4) 0.93696(4) 0.52927(7) 0.00956(17) Uani 1 1 d . . . . .
Si6 Si 0.22079(4) 0.93833(4) 0.53337(7) 0.01213(18) Uani 1 1 d . . . . .
Si7 Si 0.18861(4) 0.82710(4) 0.68400(7) 0.01149(17) Uani 1 1 d . . . . .
Si8 Si 0.07039(4) 0.86977(4) 0.81811(7) 0.00952(17) Uani 1 1 d . . . . .
Si9 Si 0.07177(4) 1.02801(4) 0.81638(7) 0.00854(17) Uani 1 1 d . . . . .
Si10 Si 0.18735(4) 1.05914(5) 0.67486(7) 0.01198(17) Uani 1 1 d . . . . .
Si11 Si 0.30902(4) 1.02908(5) 0.81393(7) 0.01270(18) Uani 1 1 d . . . . .
Si12 Si 0.42330(4) 1.05750(4) 0.66642(7) 0.01037(17) Uani 1 1 d . . . . .
O1 O 0.1108(2) 0.7500 1.0629(3) 0.0193(7) Uani 1 2 d S T P . .
O2 O 0.08831(19) 0.83675(18) 0.9227(3) 0.0379(8) Uani 1 1 d . . . . .
O3 O 0.19672(13) 0.84686(15) 1.0269(3) 0.0275(6) Uani 1 1 d . . . . .
O4 O 0.2827(2) 0.7500 1.0602(3) 0.0242(8) Uani 1 2 d S T P . .
O5 O 0.30932(16) 0.8450(2) 0.9310(2) 0.0338(7) Uani 1 1 d . . . . .
O6 O 0.3093(2) 0.94970(17) 0.8164(4) 0.0591(13) Uani 1 1 d . . . . .
O7 O 0.24499(16) 0.8444(2) 0.7633(3) 0.0456(10) Uani 1 1 d . . . . .
O8 O 0.37426(15) 0.84230(19) 0.7679(2) 0.0346(8) Uani 1 1 d . . . . .
O9 O 0.49608(13) 0.84950(16) 0.7111(2) 0.0264(6) Uani 1 1 d . . . . .
O10 O 0.4217(2) 0.7500 0.6488(4) 0.0301(10) Uani 1 2 d S T P . .
O11 O 0.40088(17) 0.86828(15) 0.5793(2) 0.0295(7) Uani 1 1 d . . . . .
O12 O 0.4078(2) 0.99870(16) 0.5890(3) 0.0411(9) Uani 1 1 d . . . . .
O13 O 0.29921(15) 0.9418(2) 0.5303(4) 0.0533(12) Uani 1 1 d . . . . .
O14 O 0.19733(18) 0.87034(15) 0.5847(3) 0.0332(7) Uani 1 1 d . . . . .
O15 O 0.19380(19) 1.00080(16) 0.5943(3) 0.0387(8) Uani 1 1 d . . . . .
O16 O 0.19204(15) 1.13029(13) 0.6210(2) 0.0253(6) Uani 1 1 d . . . . .
O17 O 0.24429(15) 1.0534(2) 0.7569(3) 0.0407(9) Uani 1 1 d . . . . .
O18 O 0.11632(13) 1.05439(17) 0.7264(2) 0.0290(7) Uani 1 1 d . . . . .
O19 O 0.1934(2) 0.7500 0.6531(3) 0.0266(9) Uani 1 2 d S T P . .
O20 O 0.11767(14) 0.84120(18) 0.7326(3) 0.0337(8) Uani 1 1 d . . . . .
O21 O 0.07862(17) 0.94862(14) 0.8265(3) 0.0338(7) Uani 1 1 d . . . . .
O22 O 0.0959(2) 1.06192(16) 0.9179(2) 0.0359(8) Uani 1 1 d . . . . .
O23 O 0.30878(16) 1.05967(17) 0.9236(2) 0.0309(7) Uani 1 1 d . . . . .
O24 O 0.37342(16) 1.0562(2) 0.7581(3) 0.0394(8) Uani 1 1 d . . . . .
O25 O 0.49687(12) 1.04914(15) 0.7075(2) 0.0223(6) Uani 1 1 d . . . . .
O26 O 0.41750(17) 1.12803(14) 0.6104(3) 0.0317(7) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0094 0.0053 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0743 0.0626 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.5380 1.6368 '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
O26 Si1 O2 110.7(2) 2_575 .
O26 Si1 O3 109.73(18) 2_575 .
O2 Si1 O3 109.01(19) . .
O26 Si1 O1 107.92(19) 2_575 .
O2 Si1 O1 108.6(2) . .
O3 Si1 O1 110.88(19) . .
O16 Si2 O5 109.29(19) 2_575 .
O16 Si2 O4 107.78(19) 2_575 .
O5 Si2 O4 110.6(2) . .
O16 Si2 O3 109.59(17) 2_575 .
O5 Si2 O3 109.12(18) . .
O4 Si2 O3 110.44(19) . .
O6 Si3 O8 110.5(2) . .
O6 Si3 O5 110.3(2) . .
O8 Si3 O5 107.06(18) . .
O6 Si3 O7 108.8(3) . .
O8 Si3 O7 110.4(2) . .
O5 Si3 O7 109.8(2) . .
O10 Si4 O9 110.4(2) . .
O10 Si4 O11 107.2(2) . .
O9 Si4 O11 111.06(18) . .
O10 Si4 O8 109.9(2) . .
O9 Si4 O8 107.14(18) . .
O11 Si4 O8 111.07(18) . .
O13 Si5 O22 110.0(2) . 2_574
O13 Si5 O12 109.2(2) . .
O22 Si5 O12 109.6(2) 2_574 .
O13 Si5 O11 109.9(2) . .
O22 Si5 O11 108.04(18) 2_574 .
O12 Si5 O11 109.99(18) . .
O13 Si6 O15 108.8(2) . .
O13 Si6 O23 110.4(2) . 2_574
O15 Si6 O23 109.2(2) . 2_574
O13 Si6 O14 110.2(2) . .
O15 Si6 O14 110.2(2) . .
O23 Si6 O14 108.10(18) 2_574 .
O7 Si7 O20 109.11(19) . .
O7 Si7 O19 109.8(2) . .
O20 Si7 O19 109.3(2) . .
O7 Si7 O14 111.2(2) . .
O20 Si7 O14 110.1(2) . .
O19 Si7 O14 107.3(2) . .
O21 Si8 O2 108.9(2) . .
O21 Si8 O20 110.1(2) . .
O2 Si8 O20 110.5(2) . .
O21 Si8 O9 111.48(18) . 6_557
O2 Si8 O9 108.88(18) . 6_557
O20 Si8 O9 106.98(17) . 6_557
O18 Si9 O22 109.54(19) . .
O18 Si9 O21 110.12(19) . .
O22 Si9 O21 108.77(19) . .
O18 Si9 O25 107.02(16) . 6_557
O22 Si9 O25 110.26(18) . 6_557
O21 Si9 O25 111.13(17) . 6_557
O18 Si10 O17 110.00(19) . .
O18 Si10 O15 108.9(2) . .
O17 Si10 O15 110.9(2) . .
O18 Si10 O16 107.64(16) . .
O17 Si10 O16 109.5(2) . .
O15 Si10 O16 109.74(18) . .
O6 Si11 O17 108.6(2) . .
O6 Si11 O23 111.3(2) . .
O17 Si11 O23 109.0(2) . .
O6 Si11 O24 110.3(2) . .
O17 Si11 O24 109.8(2) . .
O23 Si11 O24 107.83(18) . .
O24 Si12 O25 108.63(18) . .
O24 Si12 O12 111.6(2) . .
O25 Si12 O12 109.29(18) . .
O24 Si12 O26 109.4(2) . .
O25 Si12 O26 108.85(17) . .
O12 Si12 O26 109.07(19) . .
Si1 O1 Si1 146.0(3) 7_575 .
Si8 O2 Si1 160.6(3) . .
Si1 O3 Si2 151.3(2) . .
Si2 O4 Si2 151.8(3) 7_575 .
Si3 O5 Si2 153.1(2) . .
Si3 O6 Si11 179.7(4) . .
Si3 O7 Si7 165.7(3) . .
Si3 O8 Si4 155.1(3) . .
Si4 O9 Si8 148.9(2) . 6_657
Si4 O10 Si4 153.1(3) . 7_575
Si5 O11 Si4 149.2(2) . .
Si5 O12 Si12 166.2(3) . .
Si6 O13 Si5 173.9(3) . .
Si6 O14 Si7 148.6(2) . .
Si6 O15 Si10 162.0(3) . .
Si2 O16 Si10 145.8(2) 2_574 .
Si11 O17 Si10 161.0(3) . .
Si10 O18 Si9 148.8(2) . .
Si7 O19 Si7 149.0(3) 7_575 .
Si7 O20 Si8 153.0(2) . .
Si8 O21 Si9 165.8(3) . .
Si5 O22 Si9 155.7(2) 2_575 .
Si6 O23 Si11 150.1(2) 2_575 .
Si12 O24 Si11 152.2(3) . .
Si12 O25 Si9 146.9(2) . 6_657
Si1 O26 Si12 148.2(2) 2_574 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
I1 I1 2.6479(14) 5_655
I2A I3A 2.694(5) .
I4A I5A 2.686(9) .
I2B I3B 2.687(8) .
I4B I5B 2.682(12) .
I2C I3C 2.698(12) .
I4C I5C 2.758(9) .
Si1 O26 1.584(3) 2_575
Si1 O2 1.591(3) .
Si1 O3 1.598(3) .
Si1 O1 1.5997(15) .
Si2 O16 1.585(3) 2_575
Si2 O5 1.591(3) .
Si2 O4 1.5949(14) .
Si2 O3 1.604(3) .
Si3 O6 1.570(4) .
Si3 O8 1.581(3) .
Si3 O5 1.583(3) .
Si3 O7 1.584(3) .
Si4 O10 1.5934(14) .
Si4 O9 1.595(3) .
Si4 O11 1.595(3) .
Si4 O8 1.597(3) .
Si5 O13 1.580(3) .
Si5 O22 1.583(3) 2_574
Si5 O12 1.587(3) .
Si5 O11 1.592(3) .
Si6 O13 1.578(3) .
Si6 O15 1.583(3) .
Si6 O23 1.586(3) 2_574
Si6 O14 1.590(3) .
Si7 O7 1.590(3) .
Si7 O20 1.592(3) .
Si7 O19 1.5930(15) .
Si7 O14 1.593(3) .
Si8 O21 1.583(3) .
Si8 O2 1.588(3) .
Si8 O20 1.593(3) .
Si8 O9 1.596(3) 6_557
Si9 O18 1.590(3) .
Si9 O22 1.593(3) .
Si9 O21 1.593(3) .
Si9 O25 1.596(3) 6_557
Si10 O18 1.589(3) .
Si10 O17 1.590(3) .
Si10 O15 1.591(3) .
Si10 O16 1.592(3) .
Si11 O6 1.581(4) .
Si11 O17 1.584(3) .
Si11 O23 1.589(3) .
Si11 O24 1.589(3) .
Si12 O24 1.585(3) .
Si12 O25 1.587(3) .
Si12 O12 1.594(3) .
Si12 O26 1.596(3) .
O1 Si1 1.5996(15) 7_575
O4 Si2 1.5949(14) 7_575
O9 Si8 1.596(3) 6_657
O10 Si4 1.5934(14) 7_575
O16 Si2 1.585(3) 2_574
O19 Si7 1.5930(15) 7_575
O22 Si5 1.583(3) 2_575
O23 Si6 1.586(3) 2_575
O25 Si9 1.595(3) 6_657
O26 Si1 1.584(3) 2_574
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O26 Si1 O1 Si1 169.3(5) 2_575 7_575
O2 Si1 O1 Si1 49.2(5) . 7_575
O3 Si1 O1 Si1 -70.5(5) . 7_575
O21 Si8 O2 Si1 -23.4(9) . .
O20 Si8 O2 Si1 97.6(9) . .
O9 Si8 O2 Si1 -145.2(8) 6_557 .
O26 Si1 O2 Si8 74.7(9) 2_575 .
O3 Si1 O2 Si8 -46.1(9) . .
O1 Si1 O2 Si8 -166.9(9) . .
O26 Si1 O3 Si2 124.6(5) 2_575 .
O2 Si1 O3 Si2 -114.0(5) . .
O1 Si1 O3 Si2 5.5(6) . .
O16 Si2 O3 Si1 -120.6(5) 2_575 .
O5 Si2 O3 Si1 119.7(5) . .
O4 Si2 O3 Si1 -2.0(6) . .
O16 Si2 O4 Si2 -176.4(6) 2_575 7_575
O5 Si2 O4 Si2 -57.0(7) . 7_575
O3 Si2 O4 Si2 63.9(7) . 7_575
O6 Si3 O5 Si2 80.2(7) . .
O8 Si3 O5 Si2 -159.6(6) . .
O7 Si3 O5 Si2 -39.7(7) . .
O16 Si2 O5 Si3 -122.0(6) 2_575 .
O4 Si2 O5 Si3 119.5(6) . .
O3 Si2 O5 Si3 -2.2(7) . .
O6 Si3 O7 Si7 61.7(13) . .
O8 Si3 O7 Si7 -59.7(13) . .
O5 Si3 O7 Si7 -177.5(12) . .
O20 Si7 O7 Si3 -133.8(12) . .
O19 Si7 O7 Si3 106.4(12) . .
O14 Si7 O7 Si3 -12.2(13) . .
O6 Si3 O8 Si4 -66.9(7) . .
O5 Si3 O8 Si4 172.9(6) . .
O7 Si3 O8 Si4 53.5(7) . .
O10 Si4 O8 Si3 -108.4(6) . .
O9 Si4 O8 Si3 131.5(6) . .
O11 Si4 O8 Si3 10.1(7) . .
O10 Si4 O9 Si8 79.2(5) . 6_657
O11 Si4 O9 Si8 -39.7(5) . 6_657
O8 Si4 O9 Si8 -161.1(4) . 6_657
O9 Si4 O10 Si4 71.6(8) . 7_575
O11 Si4 O10 Si4 -167.3(7) . 7_575
O8 Si4 O10 Si4 -46.4(8) . 7_575
O13 Si5 O11 Si4 -91.5(5) . .
O22 Si5 O11 Si4 148.5(5) 2_574 .
O12 Si5 O11 Si4 28.8(6) . .
O10 Si4 O11 Si5 167.6(5) . .
O9 Si4 O11 Si5 -71.6(5) . .
O8 Si4 O11 Si5 47.5(5) . .
O13 Si5 O12 Si12 38.8(12) . .
O22 Si5 O12 Si12 159.4(11) 2_574 .
O11 Si5 O12 Si12 -82.0(11) . .
O24 Si12 O12 Si5 4.7(12) . .
O25 Si12 O12 Si5 124.9(11) . .
O26 Si12 O12 Si5 -116.3(11) . .
O13 Si6 O14 Si7 73.5(5) . .
O15 Si6 O14 Si7 -46.5(5) . .
O23 Si6 O14 Si7 -165.8(5) 2_574 .
O7 Si7 O14 Si6 -31.2(6) . .
O20 Si7 O14 Si6 89.8(5) . .
O19 Si7 O14 Si6 -151.3(5) . .
O13 Si6 O15 Si10 -35.4(9) . .
O23 Si6 O15 Si10 -156.0(8) 2_574 .
O14 Si6 O15 Si10 85.4(9) . .
O18 Si10 O15 Si6 -127.1(9) . .
O17 Si10 O15 Si6 -5.9(10) . .
O16 Si10 O15 Si6 115.3(9) . .
O18 Si10 O16 Si2 -154.9(4) . 2_574
O17 Si10 O16 Si2 85.5(4) . 2_574
O15 Si10 O16 Si2 -36.5(5) . 2_574
O6 Si11 O17 Si10 -46.4(9) . .
O23 Si11 O17 Si10 -167.9(8) . .
O24 Si11 O17 Si10 74.2(9) . .
O18 Si10 O17 Si11 127.7(9) . .
O15 Si10 O17 Si11 7.1(10) . .
O16 Si10 O17 Si11 -114.2(9) . .
O17 Si10 O18 Si9 -27.0(5) . .
O15 Si10 O18 Si9 94.8(5) . .
O16 Si10 O18 Si9 -146.3(4) . .
O22 Si9 O18 Si10 64.0(5) . .
O21 Si9 O18 Si10 -55.5(5) . .
O25 Si9 O18 Si10 -176.4(4) 6_557 .
O7 Si7 O19 Si7 64.0(7) . 7_575
O20 Si7 O19 Si7 -55.6(7) . 7_575
O14 Si7 O19 Si7 -175.0(6) . 7_575
O7 Si7 O20 Si8 9.4(7) . .
O19 Si7 O20 Si8 129.5(6) . .
O14 Si7 O20 Si8 -112.8(6) . .
O21 Si8 O20 Si7 62.7(6) . .
O2 Si8 O20 Si7 -57.6(6) . .
O9 Si8 O20 Si7 -176.0(5) 6_557 .
O2 Si8 O21 Si9 -145.7(11) . .
O20 Si8 O21 Si9 93.0(11) . .
O9 Si8 O21 Si9 -25.6(12) 6_557 .
O18 Si9 O21 Si8 -89.8(11) . .
O22 Si9 O21 Si8 150.2(11) . .
O25 Si9 O21 Si8 28.6(12) 6_557 .
O18 Si9 O22 Si5 -123.7(7) . 2_575
O21 Si9 O22 Si5 -3.3(8) . 2_575
O25 Si9 O22 Si5 118.8(7) 6_557 2_575
O6 Si11 O23 Si6 -48.4(6) . 2_575
O17 Si11 O23 Si6 71.3(5) . 2_575
O24 Si11 O23 Si6 -169.5(5) . 2_575
O25 Si12 O24 Si11 -129.0(6) . .
O12 Si12 O24 Si11 -8.4(7) . .
O26 Si12 O24 Si11 112.3(6) . .
O6 Si11 O24 Si12 50.7(7) . .
O17 Si11 O24 Si12 -68.9(6) . .
O23 Si11 O24 Si12 172.5(6) . .
O24 Si12 O25 Si9 158.1(4) . 6_657
O12 Si12 O25 Si9 36.1(4) . 6_657
O26 Si12 O25 Si9 -82.9(4) . 6_657
O24 Si12 O26 Si1 -84.2(5) . 2_574
O25 Si12 O26 Si1 157.3(5) . 2_574
O12 Si12 O26 Si1 38.1(6) . 2_574
