#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/04/9000481.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_9000481
loop_
_publ_author_name
'Sueno, S.'
'Cameron, M.'
'Prewitt, C. T.'
_publ_section_title
;
 Orthoferrosilite: High-temperature crystal chemistry
 T = 980 deg C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              38
_journal_page_last               53
_journal_volume                  61
_journal_year                    1976
_chemical_formula_sum            'Fe O3 Si'
_chemical_name_mineral           Ferrosilite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.614
_cell_length_b                   9.172
_cell_length_c                   5.3199
_cell_formula_units_Z            16
_cell_volume                     908.254
_database_code_amcsd             0000492
_diffrn_ambient_temperature      1253.15
_exptl_crystal_density_diffrn    3.859
_cod_original_formula_sum        'Fe Si O3'
_cod_database_code               9000481
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe1 0.37467 0.65050 0.89920
Fe2 0.37637 0.48860 0.39640
Si1 0.27290 0.33740 0.06950
Si2 0.47550 0.33530 0.77250
O1A 0.18620 0.33940 0.06690
O2A 0.31200 0.49100 0.09210
O3A 0.30050 0.24910 0.82250
O1B 0.56230 0.34010 0.77270
O2B 0.43480 0.48470 0.71170
O3B 0.44930 0.22290 0.54550
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000492
