#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9006877.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_9006877
_chemical_name 'Olivine'
loop_
_publ_author_name
'Redfern S A T'
'Artioli G'
'Rinaldi R'
'Henderson C M B'
'Knight K S'
'Wood B J'
_journal_name_full "Physics and Chemistry of Minerals"
_journal_volume 27
_journal_year 2000
_journal_page_first 630
_journal_page_last 637
_publ_section_title
;
 Octahedral cation ordering in olivine at high temperature. II: an in situ
 neutron powder diffraction study on synthetic MgFeSiO4 (Fa50)
 Sample: T = 300 C
;
_chemical_formula_sum '(Fe Mg) Si O4'
_cell_length_a 4.8106
_cell_length_b 10.3863
_cell_length_c 6.0682
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 303.194
_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
_atom_site_Uiso_or_equiv
FeM1   0.00000   0.00000   0.00000   0.53000   0.01136
MgM1   0.00000   0.00000   0.00000   0.47000   0.01136
FeM2   0.99250   0.27870   0.25000   0.47000   0.00876
MgM2   0.99250   0.27870   0.25000   0.53000   0.00876
Si   0.42520   0.09750   0.25000   1.00000   0.00456
O1   0.76800   0.09230   0.25000   1.00000   0.01462
O2   0.21720   0.45190   0.25000   1.00000   0.00964
O3   0.28270   0.16380   0.03510   1.00000   0.00962