#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000314.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_9000314
_chemical_name 'Forsterite'
loop_
_publ_author_name
'Brown G E'
'Prewitt C T'
_journal_name_full "American Mineralogist"
_journal_volume 58
_journal_year 1973
_journal_page_first 577
_journal_page_last 587
_publ_section_title
;
 High-temperature crystal chemistry of hortonolite
 sample #12018 at T = 24 C
 Note: variety hortonolite
;
_chemical_formula_sum 'Si Mg1.64 Fe.35 Ca.01 O4'
_cell_length_a 4.771
_cell_length_b 10.274
_cell_length_c 6.011
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 294.643
_symmetry_space_group_name_H-M 'P b n m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Si   0.42700   0.09460   0.25000   1.00000
Mg1   0.00000   0.00000   0.00000   0.81400
Fe1   0.00000   0.00000   0.00000   0.18600
Mg2   0.98880   0.27780   0.25000   0.82600
Fe2   0.98880   0.27780   0.25000   0.16400
Ca2   0.98880   0.27780   0.25000   0.01000
O1   0.76610   0.09180   0.25000   1.00000
O2   0.21940   0.44820   0.25000   1.00000
O3   0.27950   0.16340   0.03360   1.00000