#------------------------------------------------------------------------------
#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/68/9006875.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_9006875
loop_
_publ_author_name
'Redfern, S. A. T.'
'Artioli, G.'
'Rinaldi, R.'
'Henderson, C. M. B.'
'Knight, K. S.'
'Wood, B. J.'
_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 = 100 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              630
_journal_page_last               637
_journal_volume                  27
_journal_year                    2000
_chemical_formula_sum            'Fe Mg O4 Si'
_chemical_name_mineral           Olivine
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.8025
_cell_length_b                   10.3648
_cell_length_c                   6.0529
_cell_volume                     301.295
_diffrn_ambient_temperature      373.15
_exptl_crystal_density_diffrn    3.797
_[local]_cod_chemical_formula_sum_orig '(Fe Mg) Si O4'
_cod_database_code               9006875
_amcsd_database_code             AMCSD#0008396
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_U_iso_or_equiv
FeM1 0.00000 0.00000 0.00000 0.53700 0.00793
MgM1 0.00000 0.00000 0.00000 0.46300 0.00793
FeM2 0.99190 0.27870 0.25000 0.46300 0.00532
MgM2 0.99190 0.27870 0.25000 0.53700 0.00532
Si 0.42530 0.09770 0.25000 1.00000 0.00247
O1 0.76830 0.09150 0.25000 1.00000 0.01124
O2 0.21720 0.45100 0.25000 1.00000 0.00681
O3 0.28260 0.16410 0.03480 1.00000 0.00738