#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/73/9017363.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9017363
loop_
_publ_author_name
'Gerke, H.'
'Gies, H.'
_publ_section_title
;
 Studies on clathrasils. IV. Crystal structure of dodecasil 1H,
 a synthetic clathrate compound of silica
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              11
_journal_page_last               22
_journal_volume                  166
_journal_year                    1984
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O34 Si17'
_chemical_name_mineral           Bosoite
_space_group_IT_number           191
_space_group_name_Hall           '-P 6 2'
_space_group_name_H-M_alt        'P 6/m m m'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   13.783
_cell_length_b                   13.783
_cell_length_c                   11.190
_cell_formula_units_Z            2
_cell_volume                     1840.976
_database_code_amcsd             0020684
_exptl_crystal_density_diffrn    1.843
_cod_data_source_file            inputs/fixed/downloads/12/12943.cif
_cod_data_source_block           12943
_cod_original_formula_sum        'Si17 O34'
_cod_database_code               9017363
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-x+y,z
x,x-y,-z
-x+y,-x,-z
x-y,x,z
-y,-x,z
y,x,-z
y,-x+y,-z
-y,x-y,z
x-y,-y,z
-x+y,y,-z
x,y,-z
-x,-y,z
x,x-y,z
-x,-x+y,-z
x-y,x,-z
-x+y,-x,z
y,x,z
-y,-x,-z
-y,x-y,-z
y,-x+y,z
-x+y,y,z
x-y,-y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Si1 0.41860 0.20930 0.22520 0.02259
Si2 0.38680 0.00000 0.36270 0.02993
Si3 0.26280 0.13140 0.00000 0.02061
Si4 0.33333 0.66667 0.13840 0.02474
O1 0.10520 0.39330 0.30310 0.08450
O2 0.54290 0.27150 0.81640 0.06830
O3 0.34050 0.17020 0.11390 0.05519
O4 0.36010 0.00000 0.50000 0.05766
O5 0.18650 0.00000 0.00000 0.05074
O6 0.50000 0.00000 0.34510 0.09170
O7 0.33333 0.66667 0.00000 0.12746
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020684
