#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000476.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9000476
_chemical_name 'Ferrosilite'
loop_
_publ_author_name
'Sueno S'
'Cameron M'
'Prewitt C T'
_journal_name_full "American Mineralogist"
_journal_volume 61
_journal_year 1976
_journal_page_first 38
_journal_page_last 53
_publ_section_title
;
 Orthoferrosilite: High-temperature crystal chemistry
 T = 24 deg C
;
_chemical_formula_sum 'Fe Si O3'
_cell_length_a 18.418
_cell_length_b 9.078
_cell_length_c 5.2366
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 875.552
_symmetry_space_group_name_H-M 'P b c a'
loop_
_symmetry_equiv_pos_as_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   0.37573   0.65415   0.87460
Fe2   0.37766   0.48567   0.36670
Si1   0.27229   0.33870   0.04930
Si2   0.47310   0.33448   0.78910
O1   0.18480   0.33960   0.03870
O2   0.31180   0.49640   0.05820
O3   0.30250   0.23630   0.81630
O4   0.56100   0.33650   0.78680
O5   0.43320   0.48060   0.69320
O6   0.44760   0.20280   0.58650