#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/04/9000477.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_9000477
loop_
_publ_author_name
'Sueno, S.'
'Cameron, M.'
'Prewitt, C. T.'
_publ_section_title
;
 Orthoferrosilite: High-temperature crystal chemistry
 T = 400 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                   18.484
_cell_length_b                   9.124
_cell_length_c                   5.2593
_cell_formula_units_Z            16
_cell_volume                     886.971
_database_code_amcsd             0000488
_diffrn_ambient_temperature      673.15
_exptl_crystal_density_diffrn    3.952
_cod_original_cell_volume        886.970
_cod_original_formula_sum        'Fe Si O3'
_cod_database_code               9000477
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 0.37554 0.65283 0.88230
Fe2 0.37724 0.48683 0.37480
Si1 0.27223 0.33840 0.05620
Si2 0.47356 0.33480 0.78620
O1A 0.18520 0.33860 0.04900
O2A 0.31130 0.49510 0.06950
O3A 0.30220 0.24060 0.82040
O1B 0.56130 0.33800 0.78380
O2B 0.43340 0.48060 0.69650
O3B 0.44810 0.20730 0.57820
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000488
