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#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/82/9008280.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_9008280
loop_
_publ_author_name
'Kirfe, A.'
'Will, G.'
'Arndt, J.'
_publ_section_title
;
 A new phase of coesite SiO2
 Note: this is a synthetic, twinned crystal of a typical coesite,
 it is not really a new phase
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              315
_journal_page_last               326
_journal_volume                  149
_journal_year                    1979
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Coesite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 120.30
_cell_angle_gamma                90
_cell_length_a                   7.148
_cell_length_b                   12.334
_cell_length_c                   7.112
_cell_formula_units_Z            16
_cell_volume                     541.365
_database_code_amcsd             0010809
_exptl_crystal_density_diffrn    2.949
_cod_original_formula_sum        'Si O2'
_cod_database_code               9008280
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,z
1/2-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si1 0.32240 0.35850 0.39100
Si2 0.68640 0.35820 0.11060
Si3 0.78740 0.40860 0.74320
Si4 0.21900 0.40740 0.75620
O1 0.24980 0.25150 0.24860
O2 0.00390 0.36620 0.75200
O3 0.23510 0.35480 0.56090
O4 0.57910 0.37260 0.51440
O5 0.78650 0.46480 0.26810
O6 0.20830 0.45810 0.23340
O7 0.42750 0.37380 -0.01840
O8 0.77000 0.35300 -0.05970
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010809
