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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/9/00/04/9000479.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_9000479
loop_
_publ_author_name
'Sueno, S.'
'Cameron, M.'
'Prewitt, C. T.'
_publ_section_title
;
 Orthoferrosilite: High-temperature crystal chemistry
 T = 800 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                   18.569
_cell_length_b                   9.16
_cell_length_c                   5.2974
_cell_formula_units_Z            16
_cell_volume                     901.046
_database_code_amcsd             0000490
_diffrn_ambient_temperature      1073.15
_exptl_crystal_density_diffrn    3.890
_cod_original_formula_sum        'Fe Si O3'
_cod_database_code               9000479
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 0.37499 0.65130 0.89260
Fe2 0.37666 0.48850 0.38790
Si1 0.27259 0.33690 0.06440
Si2 0.47462 0.33580 0.77830
O1A 0.18550 0.33900 0.06050
O2A 0.31150 0.49260 0.08320
O3A 0.30110 0.24500 0.82270
O1B 0.56170 0.33920 0.77710
O2B 0.43390 0.48320 0.70640
O3B 0.44880 0.21670 0.56040
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000490
