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#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/50/9015032.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_9015032
loop_
_publ_author_name
'Weber, H. P.'
_publ_section_title
;
 Ferrosilite III, the high-temperature polymorph of FeSiO3
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1
_journal_page_last               3
_journal_paper_doi               10.1107/S010827018300339X
_journal_volume                  39
_journal_year                    1983
_chemical_compound_source        'synthetic at 2 GPa and 1523 K for 20 h'
_chemical_formula_sum            'Fe O3 Si'
_chemical_name_mineral           'Ferrosilite III'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                115.32
_cell_angle_beta                 80.56
_cell_angle_gamma                95.49
_cell_length_a                   6.628
_cell_length_b                   7.467
_cell_length_c                   22.607
_cell_volume                     997.260
_database_code_amcsd             0019764
_exptl_crystal_density_diffrn    3.954
_cod_original_formula_sum        'Fe Si O3'
_cod_database_code               9015032
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
FeM10 0.05134 0.45492 0.41889 0.07770
FeM11 0.19183 0.31543 0.25993 0.07600
FeM12 0.02977 0.46190 0.80630 0.07550
FeM13 0.11189 0.38982 0.03356 0.07730
FeM21 0.38922 0.13267 0.34072 0.08800
FeM22 0.19151 0.16975 0.48612 0.14810
FeM23 0.14528 0.32746 0.65097 0.07940
FeM24 0.30572 0.19380 0.10798 0.08890
FeM25 0.22018 0.27055 0.88125 0.08600
Si1 0.23845 0.86110 0.55161 0.07650
Si2 0.10381 0.97742 0.69403 0.06930
Si3 0.29602 0.78413 0.76288 0.06970
Si4 0.17754 0.90786 0.91198 0.07010
Si5 0.37389 0.71303 0.98406 0.07100
Si6 0.25880 0.83834 0.13461 0.06890
Si7 0.45657 0.63640 0.20414 0.06760
Si8 0.33723 0.75381 0.35205 0.07250
Si9 0.51498 0.58620 0.43131 0.07820
OA1 0.94446 0.30076 0.47750 0.09490
OA2 0.08465 0.18252 0.32587 0.08820
OA3 0.87004 0.39786 0.25959 0.08730
OA4 0.00986 0.25258 0.09949 0.09190
OA5 0.79999 0.46107 0.02991 0.09160
OA6 0.92235 0.32797 0.87490 0.08460
OA7 0.72228 0.53275 0.80546 0.08700
OA8 0.15208 0.59449 0.34803 0.08870
OA9 0.64791 0.59199 0.57816 0.09300
OA10 0.75615 0.55188 0.42593 0.10040
OB1 0.82961 0.93322 0.44377 0.10980
OB2 0.04924 0.20247 0.71484 0.09730
OB3 0.47985 0.25909 0.27872 0.09330
OB4 0.12298 0.13712 0.94131 0.09730
OB5 0.60186 0.65214 0.94768 0.09870
OB6 0.20211 0.06798 0.17184 0.09440
OB7 0.31271 0.42892 0.82596 0.08940
OB8 0.28470 0.98120 0.39679 0.09560
OC1 0.27855 0.89803 0.62649 0.09260
OC2 0.78920 0.03138 0.24698 0.08960
OC3 0.68131 0.13666 0.15953 0.10280
OC4 0.32208 0.87839 0.95909 0.10800
OC5 0.37516 0.83064 0.06372 0.10400
OC6 0.57162 0.21431 0.83012 0.09510
OC7 0.56301 0.22825 0.71604 0.09430
OC8 0.52014 0.67906 0.37630 0.09200
OC9 0.45147 0.77366 0.50325 0.09790