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#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/16/9001629.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_9001629
loop_
_publ_author_name
'Hugh-Jones D A'
'Woodland, A. B.'
'Angel, R. J.'
_publ_section_title
;
 The structure of high-pressure C2/c ferrosilite and crystal chemistry of
 high-pressure C2/c pyroxenes
 Sample: fictive hedenbergite-like C2/c FeSiO3 phase
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1032
_journal_page_last               1041
_journal_volume                  79
_journal_year                    1994
_chemical_formula_sum            'Fe O3 Si'
_chemical_name_mineral           Clinoferrosilite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.8
_cell_angle_gamma                90
_cell_length_a                   9.73
_cell_length_b                   9.11
_cell_length_c                   5.23
_cell_formula_units_Z            8
_cell_volume                     441.396
_database_code_amcsd             0001681
_exptl_crystal_density_diffrn    3.971
_cod_original_formula_sum        'Fe Si O3'
_cod_database_code               9001629
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe1 0.00000 0.90100 0.25000
Fe2 0.00000 0.26300 0.25000
Si 0.29600 0.08500 0.25200
O1 0.12400 0.09000 0.15900
O2 0.37500 0.24000 0.36200
O3 0.35900 0.03100 0.04500
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001681
