#------------------------------------------------------------------------------
#$Date: 2017-09-28 11:46:15 +0300 (Thu, 28 Sep 2017) $
#$Revision: 201406 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/31/01/2310161.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2310161
loop_
_publ_author_name
'Fujiyama, Shinjiro'
'Yoza, Kenji'
'Kamiya, Natsumi'
'Nishi, Koji'
'Yokomori, Yoshinobu'
_publ_section_title
;
 Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1
 zeolite channels as determined by single-crystal XRD structural analysis
;
_journal_coden_ASTM              ACSBDA
_journal_coeditor_code           BP5072
_journal_issue                   1
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Science, Crystal
 Engineering and Materials
;
_journal_page_first              112
_journal_page_last               118
_journal_paper_doi               10.1107/S2052520615000256
_journal_volume                  71
_journal_year                    2015
_chemical_formula_sum            'C0.4 O48.2 Si24'
_chemical_formula_weight         1449.1
_chemical_name_systematic        ?
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.003(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.383(2)
_cell_length_b                   20.108(3)
_cell_length_c                   19.877(3)
_cell_measurement_reflns_used    7648
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.57
_cell_measurement_theta_min      2.27
_cell_volume                     5349.0(14)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.944
_diffrn_measured_fraction_theta_max 0.944
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1145
_diffrn_reflns_av_sigmaI/netI    0.0659
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            58608
_diffrn_reflns_theta_full        27.82
_diffrn_reflns_theta_max         27.82
_diffrn_reflns_theta_min         1.01
_exptl_absorpt_coefficient_mu    0.676
_exptl_absorpt_correction_T_max  0.9479
_exptl_absorpt_correction_T_min  0.8601
_exptl_absorpt_correction_type   analytical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.843
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'coffin shape'
_exptl_crystal_F_000             2984
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.935
_refine_diff_density_min         -1.001
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     660
_refine_ls_number_reflns         12004
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.110
_refine_ls_R_factor_all          0.0742
_refine_ls_R_factor_gt           0.0604
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1204P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1817
_refine_ls_wR_factor_ref         0.1982
_reflns_number_gt                9577
_reflns_number_total             12004
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            bp5072sup1.cif
_cod_data_source_block           str12h_twin_f_dme
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/IUCr/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_absorpt_correction_type' value 'Analytical' changed to
'analytical' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/IUCr/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               2310161
_cod_database_fobs_code          2310161
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_disorder_assembly
_atom_site_disorder_group
C C301 0.159(9) 0.262(4) 0.746(7) 0.29(7) Uiso d PGU 0.174(16) 1 A 1
C C302 0.143(9) 0.147(4) 0.737(6) 0.27(6) Uiso d PGU 0.174(16) 1 A 1
O O303 0.095(6) 0.207(5) 0.754(5) 0.30(5) Uiso d PGU 0.174(16) 1 A 1
Si Si1 0.32240(11) 0.42074(5) -0.05594(6) 0.0211(3) Uani d . 1 1 . .
Si Si2 0.16808(12) 0.31244(6) -0.03029(7) 0.0232(3) Uani d . 1 1 . .
Si Si3 -0.04987(11) 0.27969(6) -0.06242(6) 0.0230(3) Uani d . 1 1 . .
Si Si4 -0.03521(10) 0.12365(6) -0.06277(6) 0.0220(3) Uani d . 1 1 . .
Si Si5 0.17758(11) 0.07591(6) -0.02821(6) 0.0203(3) Uani d . 1 1 . .
Si Si6 0.31602(12) 0.19390(5) -0.05614(7) 0.0226(3) Uani d . 1 1 . .
Si Si7 0.32036(12) 0.42498(6) 0.17153(6) 0.0218(3) Uani d . 1 1 . .
Si Si8 0.17549(12) 0.31142(5) 0.12726(7) 0.0219(3) Uani d . 1 1 . .
Si Si9 -0.03521(11) 0.27358(6) 0.17561(6) 0.0212(3) Uani d . 1 1 . .
Si Si10 -0.03273(11) 0.11929(6) 0.17567(6) 0.0229(3) Uani d . 1 1 . .
Si Si11 0.17695(11) 0.07147(6) 0.12946(6) 0.0214(3) Uani d . 1 1 . .
Si Si12 0.31544(12) 0.19019(5) 0.16655(7) 0.0219(3) Uani d . 1 1 . .
Si Si13 0.33551(11) 0.42748(5) 0.55742(6) 0.0207(3) Uani d . 1 1 . .
Si Si14 0.18859(12) 0.31177(6) 0.52760(7) 0.0235(3) Uani d . 1 1 . .
Si Si15 -0.02929(10) 0.27755(6) 0.56132(6) 0.0210(3) Uani d . 1 1 . .
Si Si16 -0.03272(10) 0.12167(6) 0.56403(6) 0.0212(3) Uani d . 1 1 . .
Si Si17 0.17970(11) 0.07081(5) 0.52754(6) 0.0204(3) Uani d . 1 1 . .
Si Si18 0.31959(12) 0.18725(5) 0.56202(7) 0.0227(3) Uani d . 1 1 . .
Si Si19 0.31598(11) 0.42397(6) 0.32787(6) 0.0215(3) Uani d . 1 1 . .
Si Si20 0.17168(12) 0.31206(6) 0.36934(7) 0.0232(3) Uani d . 1 1 . .
Si Si21 -0.04318(11) 0.27334(6) 0.33071(6) 0.0223(3) Uani d . 1 1 . .
Si Si22 -0.03687(11) 0.11893(6) 0.32941(6) 0.0227(3) Uani d . 1 1 . .
Si Si23 0.17850(12) 0.07206(5) 0.36965(6) 0.0220(3) Uani d . 1 1 . .
Si Si24 0.30149(12) 0.19306(5) 0.32080(6) 0.0218(3) Uani d . 1 1 . .
O O1 0.2240(3) 0.37691(16) -0.0581(2) 0.0440(10) Uani d . 1 1 . .
O O2 0.0611(3) 0.30984(16) -0.06558(19) 0.0366(9) Uani d . 1 1 . .
O O3 -0.0430(4) 0.20109(15) -0.0495(2) 0.0479(12) Uani d . 1 1 . .
O O4 0.0796(3) 0.10269(18) -0.06668(17) 0.0357(8) Uani d . 1 1 . .
O O5 0.2712(3) 0.12151(15) -0.04626(18) 0.0346(9) Uani d . 1 1 . .
O O6 0.2293(3) 0.24733(17) -0.0478(2) 0.0470(11) Uani d . 1 1 . .
O O7 0.2298(3) 0.37654(18) 0.1535(2) 0.0465(11) Uani d . 1 1 . .
O O8 0.0726(3) 0.30536(17) 0.1650(2) 0.0427(11) Uani d . 1 1 . .
O O9 -0.0311(4) 0.19582(15) 0.15593(19) 0.0417(11) Uani d . 1 1 . .
O O10 0.0777(3) 0.08964(19) 0.1686(2) 0.0448(10) Uani d . 1 1 . .
O O11 0.2656(3) 0.12017(18) 0.15168(19) 0.0442(11) Uani d . 1 1 . .
O O12 0.2431(3) 0.24789(19) 0.1401(2) 0.0489(11) Uani d . 1 1 . .
O O13 0.1538(4) 0.3173(2) 0.0488(2) 0.0571(13) Uani d . 1 1 . .
O O14 0.1563(3) 0.07806(17) 0.05067(17) 0.0401(9) Uani d . 1 1 . .
O O15 0.3786(3) 0.41497(18) -0.12571(17) 0.0412(10) Uani d . 1 1 . .
O O16 0.3928(3) 0.3947(2) 0.00394(18) 0.0468(10) Uani d . 1 1 . .
O O17 0.4191(3) 0.40122(18) 0.13383(17) 0.0360(9) Uani d . 1 1 . .
O O18 0.3625(3) 0.19891(17) -0.12977(19) 0.0328(9) Uani d . 1 1 . .
O O19 0.4025(4) 0.2071(2) -0.00185(19) 0.0448(10) Uani d . 1 1 . .
O O20 0.4197(3) 0.19565(17) 0.12860(19) 0.0371(10) Uani d . 1 1 . .
O O21 0.2043(3) 0.00237(14) -0.05178(17) 0.0308(8) Uani d . 1 1 . .
O O22 0.2096(3) -0.00269(16) 0.14745(18) 0.0385(9) Uani d . 1 1 . .
O O23 0.3438(3) 0.42372(18) 0.25025(17) 0.0413(9) Uani d . 1 1 . .
O O24 0.3386(3) 0.19730(15) 0.24468(17) 0.0360(9) Uani d . 1 1 . .
O O25 -0.0658(3) 0.28277(16) 0.25273(17) 0.0338(8) Uani d . 1 1 . .
O O26 -0.0675(3) 0.11022(15) 0.25229(16) 0.0320(8) Uani d . 1 1 . .
O O27 0.2425(3) 0.37850(17) 0.5513(2) 0.0473(11) Uani d . 1 1 . .
O O28 0.0759(3) 0.31395(15) 0.5530(2) 0.0370(10) Uani d . 1 1 . .
O O29 -0.0105(4) 0.19865(15) 0.5663(2) 0.0447(11) Uani d . 1 1 . .
O O30 0.0696(3) 0.08322(18) 0.5549(2) 0.0433(10) Uani d . 1 1 . .
O O31 0.2568(3) 0.11938(16) 0.56444(16) 0.0343(9) Uani d . 1 1 . .
O O32 0.2458(3) 0.24965(17) 0.5593(2) 0.0436(10) Uani d . 1 1 . .
O O33 0.2207(3) 0.37888(17) 0.34191(19) 0.0400(10) Uani d . 1 1 . .
O O34 0.0548(3) 0.31404(16) 0.35410(19) 0.0340(9) Uani d . 1 1 . .
O O35 -0.0258(4) 0.19600(14) 0.34814(18) 0.0377(10) Uani d . 1 1 . .
O O36 0.0677(4) 0.0835(2) 0.3437(2) 0.0521(12) Uani d . 1 1 . .
O O37 0.2530(4) 0.12172(17) 0.33361(19) 0.0466(11) Uani d . 1 1 . .
O O38 0.2202(3) 0.24879(18) 0.3331(2) 0.0472(11) Uani d . 1 1 . .
O O39 0.1920(4) 0.3058(2) 0.4485(2) 0.0562(13) Uani d . 1 1 . .
O O40 0.1830(3) 0.08423(17) 0.44890(17) 0.0438(10) Uani d . 1 1 . .
O O41 0.3902(3) 0.41850(18) 0.62854(17) 0.0427(10) Uani d . 1 1 . .
O O42 0.4137(3) 0.41417(18) 0.49893(17) 0.0378(9) Uani d . 1 1 . .
O O43 0.4109(3) 0.39549(19) 0.36843(17) 0.0384(9) Uani d . 1 1 . .
O O44 0.3854(3) 0.18978(16) 0.62968(19) 0.0354(10) Uani d . 1 1 . .
O O45 0.3901(4) 0.18733(17) 0.4981(2) 0.0405(10) Uani d . 1 1 . .
O O46 -0.1056(4) 0.2954(2) -0.1318(2) 0.0496(11) Uani d . 1 1 . .
O O47 0.2102(3) -0.00449(15) 0.54394(18) 0.0341(9) Uani d . 1 1 . .
O O48 0.2116(3) -0.00200(16) 0.35182(18) 0.0378(9) Uani d . 1 1 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
C301 O303 C302 . . 111.7
O47 Si1 O15 2 . 109.48(19)
O47 Si1 O1 2 . 107.6(2)
O15 Si1 O1 . . 109.4(2)
O47 Si1 O16 2 . 111.1(2)
O15 Si1 O16 . . 110.3(2)
O1 Si1 O16 . . 108.9(2)
O6 Si2 O13 . . 109.4(2)
O6 Si2 O2 . . 109.9(2)
O13 Si2 O2 . . 109.1(3)
O6 Si2 O1 . . 110.6(2)
O13 Si2 O1 . . 110.6(2)
O2 Si2 O1 . . 107.2(2)
O45 Si3 O46 4_565 . 109.6(3)
O45 Si3 O3 4_565 . 108.5(2)
O46 Si3 O3 . . 111.0(2)
O45 Si3 O2 4_565 . 109.9(2)
O46 Si3 O2 . . 108.7(2)
O3 Si3 O2 . . 109.0(2)
O3 Si4 O43 . 4_565 110.6(2)
O3 Si4 O4 . . 109.4(2)
O43 Si4 O4 4_565 . 109.1(2)
O3 Si4 O42 . 4_565 108.1(2)
O43 Si4 O42 4_565 4_565 110.6(2)
O4 Si4 O42 . 4_565 109.0(2)
O21 Si5 O5 . . 106.91(19)
O21 Si5 O14 . . 110.82(18)
O5 Si5 O14 . . 110.4(2)
O21 Si5 O4 . . 110.7(2)
O5 Si5 O4 . . 109.86(19)
O14 Si5 O4 . . 108.1(2)
O5 Si6 O6 . . 109.3(2)
O5 Si6 O18 . . 108.69(19)
O6 Si6 O18 . . 109.9(2)
O5 Si6 O19 . . 109.9(2)
O6 Si6 O19 . . 110.1(2)
O18 Si6 O19 . . 109.0(2)
O7 Si7 O17 . . 110.0(2)
O7 Si7 O23 . . 110.9(2)
O17 Si7 O23 . . 107.3(2)
O7 Si7 O48 . 2 107.1(2)
O17 Si7 O48 . 2 111.1(2)
O23 Si7 O48 . 2 110.6(2)
O8 Si8 O7 . . 107.9(2)
O8 Si8 O12 . . 111.1(2)
O7 Si8 O12 . . 110.6(3)
O8 Si8 O13 . . 108.5(3)
O7 Si8 O13 . . 110.1(2)
O12 Si8 O13 . . 108.6(2)
O44 Si9 O8 4_565 . 110.1(2)
O44 Si9 O25 4_565 . 109.1(2)
O8 Si9 O25 . . 108.4(2)
O44 Si9 O9 4_565 . 109.6(2)
O8 Si9 O9 . . 109.0(2)
O25 Si9 O9 . . 110.72(19)
O41 Si10 O9 4_565 . 109.1(2)
O41 Si10 O10 4_565 . 111.6(2)
O9 Si10 O10 . . 109.0(2)
O41 Si10 O26 4_565 . 108.5(2)
O9 Si10 O26 . . 110.43(19)
O10 Si10 O26 . . 108.2(2)
O10 Si11 O22 . . 109.5(2)
O10 Si11 O14 . . 108.7(2)
O22 Si11 O14 . . 110.14(19)
O10 Si11 O11 . . 110.2(2)
O22 Si11 O11 . . 108.0(2)
O14 Si11 O11 . . 110.2(2)
O11 Si12 O24 . . 110.04(19)
O11 Si12 O20 . . 110.0(2)
O24 Si12 O20 . . 106.8(2)
O11 Si12 O12 . . 109.2(2)
O24 Si12 O12 . . 111.9(2)
O20 Si12 O12 . . 108.9(2)
O42 Si13 O27 . . 110.9(2)
O42 Si13 O41 . . 109.1(2)
O27 Si13 O41 . . 110.6(2)
O42 Si13 O21 . 2 109.05(19)
O27 Si13 O21 . 2 108.5(2)
O41 Si13 O21 . 2 108.59(19)
O39 Si14 O28 . . 110.5(3)
O39 Si14 O32 . . 108.6(2)
O28 Si14 O32 . . 110.5(2)
O39 Si14 O27 . . 110.1(2)
O28 Si14 O27 . . 108.1(2)
O32 Si14 O27 . . 109.1(3)
O19 Si15 O28 4_566 . 109.6(2)
O19 Si15 O20 4_566 4_566 110.6(2)
O28 Si15 O20 . 4_566 108.1(2)
O19 Si15 O29 4_566 . 109.3(2)
O28 Si15 O29 . . 108.7(2)
O20 Si15 O29 4_566 . 110.4(2)
O29 Si16 O30 . . 108.6(2)
O29 Si16 O16 . 4_566 110.0(2)
O30 Si16 O16 . 4_566 110.7(2)
O29 Si16 O17 . 4_566 109.5(2)
O30 Si16 O17 . 4_566 108.1(2)
O16 Si16 O17 4_566 4_566 109.9(2)
O40 Si17 O30 . . 109.8(2)
O40 Si17 O31 . . 109.2(2)
O30 Si17 O31 . . 110.1(2)
O40 Si17 O47 . . 110.69(19)
O30 Si17 O47 . . 108.3(2)
O31 Si17 O47 . . 108.7(2)
O45 Si18 O32 . . 110.0(2)
O45 Si18 O31 . . 109.8(2)
O32 Si18 O31 . . 110.2(2)
O45 Si18 O44 . . 110.2(3)
O32 Si18 O44 . . 109.9(2)
O31 Si18 O44 . . 106.71(18)
O23 Si19 O33 . . 111.1(2)
O23 Si19 O22 . 2 110.7(2)
O33 Si19 O22 . 2 107.5(2)
O23 Si19 O43 . . 107.4(2)
O33 Si19 O43 . . 110.0(2)
O22 Si19 O43 2 . 110.2(2)
O33 Si20 O34 . . 108.6(2)
O33 Si20 O38 . . 110.4(2)
O34 Si20 O38 . . 109.5(2)
O33 Si20 O39 . . 109.5(2)
O34 Si20 O39 . . 110.6(2)
O38 Si20 O39 . . 108.2(2)
O18 Si21 O25 4_566 . 107.0(2)
O18 Si21 O35 4_566 . 110.3(2)
O25 Si21 O35 . . 110.60(19)
O18 Si21 O34 4_566 . 109.0(2)
O25 Si21 O34 . . 111.9(2)
O35 Si21 O34 . . 108.2(2)
O36 Si22 O26 . . 110.1(2)
O36 Si22 O15 . 4_566 109.4(2)
O26 Si22 O15 . 4_566 108.1(2)
O36 Si22 O35 . . 108.1(2)
O26 Si22 O35 . . 110.68(19)
O15 Si22 O35 4_566 . 110.4(2)
O37 Si23 O36 . . 110.5(2)
O37 Si23 O48 . . 108.2(2)
O36 Si23 O48 . . 108.9(2)
O37 Si23 O40 . . 109.2(2)
O36 Si23 O40 . . 109.3(2)
O48 Si23 O40 . . 110.7(2)
O46 Si24 O38 4_666 . 110.1(2)
O46 Si24 O37 4_666 . 111.0(2)
O38 Si24 O37 . . 109.4(2)
O46 Si24 O24 4_666 . 108.2(2)
O38 Si24 O24 . . 109.0(2)
O37 Si24 O24 . . 109.12(19)
Si1 O1 Si2 . . 146.3(3)
Si2 O2 Si3 . . 145.6(3)
Si4 O3 Si3 . . 161.2(3)
Si4 O4 Si5 . . 148.1(2)
Si6 O5 Si5 . . 148.6(3)
Si2 O6 Si6 . . 163.7(3)
Si8 O7 Si7 . . 157.8(3)
Si8 O8 Si9 . . 152.6(3)
Si10 O9 Si9 . . 151.5(3)
Si11 O10 Si10 . . 154.8(3)
Si12 O11 Si11 . . 155.1(3)
Si8 O12 Si12 . . 169.1(3)
Si2 O13 Si8 . . 160.9(4)
Si11 O14 Si5 . . 158.8(3)
Si1 O15 Si22 . 4_665 149.3(3)
Si16 O16 Si1 4_665 . 172.7(3)
Si7 O17 Si16 . 4_665 146.2(3)
Si21 O18 Si6 4_665 . 142.0(3)
Si15 O19 Si6 4_665 . 169.0(3)
Si12 O20 Si15 . 4_665 142.9(3)
Si5 O21 Si13 . 2_545 145.0(3)
Si19 O22 Si11 2_545 . 151.3(3)
Si19 O23 Si7 . . 155.1(3)
Si12 O24 Si24 . . 149.5(3)
Si21 O25 Si9 . . 150.8(3)
Si22 O26 Si10 . . 145.7(2)
Si13 O27 Si14 . . 153.7(3)
Si14 O28 Si15 . . 148.9(2)
Si16 O29 Si15 . . 159.5(4)
Si16 O30 Si17 . . 156.5(3)
Si17 O31 Si18 . . 147.6(2)
Si14 O32 Si18 . . 157.7(3)
Si19 O33 Si20 . . 150.8(3)
Si20 O34 Si21 . . 147.0(2)
Si22 O35 Si21 . . 150.7(3)
Si23 O36 Si22 . . 160.4(3)
Si23 O37 Si24 . . 153.6(3)
Si24 O38 Si20 . . 156.0(3)
Si14 O39 Si20 . . 165.6(4)
Si17 O40 Si23 . . 161.0(3)
Si10 O41 Si13 4_666 . 150.6(3)
Si13 O42 Si4 . 4_666 157.7(3)
Si4 O43 Si19 4_666 . 150.7(3)
Si9 O44 Si18 4_666 . 149.8(2)
Si18 O45 Si3 . 4_666 155.3(3)
Si24 O46 Si3 4_565 . 155.6(3)
Si1 O47 Si17 2_545 . 149.1(3)
Si23 O48 Si7 . 2_545 148.1(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
C301 O303 . 1.4069
C302 O303 . 1.4077
Si1 O47 2 1.585(3)
Si1 O15 . 1.586(4)
Si1 O1 . 1.586(4)
Si1 O16 . 1.605(4)
Si2 O6 . 1.585(4)
Si2 O13 . 1.590(4)
Si2 O2 . 1.595(4)
Si2 O1 . 1.598(4)
Si3 O45 4_565 1.591(4)
Si3 O46 . 1.599(4)
Si3 O3 . 1.605(3)
Si3 O2 . 1.606(4)
Si4 O3 . 1.584(3)
Si4 O43 4_565 1.593(4)
Si4 O4 . 1.597(4)
Si4 O42 4_565 1.601(4)
Si5 O21 . 1.594(3)
Si5 O5 . 1.595(4)
Si5 O14 . 1.598(4)
Si5 O4 . 1.609(4)
Si6 O5 . 1.588(3)
Si6 O6 . 1.591(4)
Si6 O18 . 1.598(4)
Si6 O19 . 1.603(4)
Si7 O7 . 1.595(4)
Si7 O17 . 1.596(4)
Si7 O23 . 1.597(4)
Si7 O48 2 1.599(3)
Si8 O8 . 1.577(4)
Si8 O7 . 1.586(4)
Si8 O12 . 1.587(4)
Si8 O13 . 1.592(4)
Si9 O44 4_565 1.582(4)
Si9 O8 . 1.593(4)
Si9 O25 . 1.601(3)
Si9 O9 . 1.614(3)
Si10 O41 4_565 1.586(4)
Si10 O9 . 1.590(3)
Si10 O10 . 1.601(4)
Si10 O26 . 1.603(3)
Si11 O10 . 1.586(4)
Si11 O22 . 1.595(3)
Si11 O14 . 1.597(4)
Si11 O11 . 1.600(4)
Si12 O11 . 1.587(4)
Si12 O24 . 1.591(4)
Si12 O20 . 1.594(4)
Si12 O12 . 1.600(4)
Si13 O42 . 1.587(4)
Si13 O27 . 1.593(4)
Si13 O41 . 1.602(4)
Si13 O21 2 1.602(3)
Si14 O39 . 1.580(4)
Si14 O28 . 1.594(4)
Si14 O32 . 1.595(4)
Si14 O27 . 1.595(4)
Si15 O19 4_566 1.582(4)
Si15 O28 . 1.597(4)
Si15 O20 4_566 1.599(4)
Si15 O29 . 1.610(3)
Si16 O29 . 1.578(3)
Si16 O30 . 1.584(4)
Si16 O16 4_566 1.589(4)
Si16 O17 4_566 1.602(3)
Si17 O40 . 1.590(4)
Si17 O30 . 1.593(4)
Si17 O31 . 1.598(3)
Si17 O47 . 1.603(3)
Si18 O45 . 1.587(4)
Si18 O32 . 1.598(4)
Si18 O31 . 1.605(3)
Si18 O44 . 1.608(4)
Si19 O23 . 1.591(4)
Si19 O33 . 1.591(4)
Si19 O22 2 1.593(3)
Si19 O43 . 1.609(4)
Si20 O33 . 1.594(3)
Si20 O34 . 1.594(5)
Si20 O38 . 1.602(4)
Si20 O39 . 1.604(4)
Si21 O18 4_566 1.591(4)
Si21 O25 . 1.592(4)
Si21 O35 . 1.611(3)
Si21 O34 . 1.613(4)
Si22 O36 . 1.596(4)
Si22 O26 . 1.597(3)
Si22 O15 4_566 1.598(4)
Si22 O35 . 1.602(3)
Si23 O37 . 1.586(4)
Si23 O36 . 1.586(5)
Si23 O48 . 1.595(3)
Si23 O40 . 1.598(4)
Si24 O46 4_666 1.576(5)
Si24 O38 . 1.583(4)
Si24 O37 . 1.596(4)
Si24 O24 . 1.599(4)
O15 Si22 4_665 1.598(4)
O16 Si16 4_665 1.589(4)
O17 Si16 4_665 1.602(3)
O18 Si21 4_665 1.591(4)
O19 Si15 4_665 1.582(4)
O20 Si15 4_665 1.595(4)
O21 Si13 2_545 1.602(3)
O22 Si19 2_545 1.593(3)
O41 Si10 4_666 1.587(4)
O42 Si4 4_666 1.600(4)
O43 Si4 4_666 1.593(4)
O44 Si9 4_666 1.582(4)
O45 Si3 4_666 1.591(4)
O46 Si24 4_565 1.576(5)
O47 Si1 2_545 1.585(3)
O48 Si7 2_545 1.599(3)
