#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9002511.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_9002511
_chemical_name 'Olivine'
loop_
_publ_author_name
'Merli M'
'Oberti R'
'Caucia F'
'Ungaretti L'
_journal_name_full "American Mineralogist"
_journal_volume 86
_journal_year 2001
_journal_page_first 55
_journal_page_last 65
_publ_section_title
;
 Determination of site population in olivine: Warnings on X-ray data
 treatment and refinement
 Sample: F-refinement using CRYSTALS, the "best" model
 Fo92Fa08
;
_chemical_formula_sum '(Mg1.84 Fe.16) Si O4'
_cell_length_a 4.7579
_cell_length_b 10.2151
_cell_length_c 5.9890
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 291.080
_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
Mg1   0.00000   0.00000   0.00000   0.92000
Fe1   0.00000   0.00000   0.00000   0.08000
Mg2   0.99010   0.27760   0.25000   0.92000
Fe2   0.99010   0.27760   0.25000   0.08000
Si   0.42670   0.09430   0.25000   1.00000
O1   0.76590   0.09170   0.25000   1.00000
O2   0.22080   0.44750   0.25000   1.00000
O3   0.27810   0.16330   0.03330   1.00000