#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/82/9008244.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_9008244
loop_
_publ_author_name
'Kamenar, B.'
'Bruvo, M.'
_publ_section_title
;
 Die kristallstruktur des silicium(IV)-acetats
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              97
_journal_page_last               103
_journal_volume                  141
_journal_year                    1975
_chemical_formula_structural     SiO8C8H12
_chemical_formula_sum            'C8 O8 Si'
_space_group_IT_number           114
_symmetry_space_group_name_Hall  'P -4 2n'
_symmetry_space_group_name_H-M   'P -4 21 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.42
_cell_length_b                   7.42
_cell_length_c                   11.34
_cell_formula_units_Z            2
_cell_volume                     624.340
_database_code_amcsd             0010770
_exptl_crystal_density_diffrn    1.341
_cod_original_formula_sum        'Si O8 C8'
_cod_database_code               9008244
_amcsd_formula_title             SiO8C8H12
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-y,1/2-x,1/2+z
y,-x,-z
1/2-x,1/2+y,1/2-z
-x,-y,z
1/2+y,1/2+x,1/2+z
-y,x,-z
1/2+x,1/2-y,1/2-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Si 0.04295 0.04295 0.04560 0.00000 0.00000 0.00000
O1 0.04100 0.05885 0.05733 -0.00781 0.00000 0.00256
O2 0.08200 0.10292 0.06059 -0.02929 -0.01876 0.00426
C1 0.05439 0.04240 0.06384 -0.00056 -0.00767 -0.00298
C2 0.06834 0.08953 0.07036 -0.02957 0.00128 0.01918
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_attached_hydrogens
Si 0.00000 0.00000 0.00000 0
O1 0.14580 0.08390 -0.09160 0
O2 0.34520 0.18020 0.03990 0
C1 0.30040 0.17450 -0.06130 0
C2 0.39360 0.25490 -0.16500 3
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010770
