#------------------------------------------------------------------------------
#$Date: 2012-02-28 15:44:07 +0000 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/74/9007410.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_9007410
loop_
_publ_author_name
'Rinaldi, R.'
'Gatta, G. D.'
'Artioli, G.'
'Knight, K. S.'
'Geiger, C. A.'
_publ_section_title
;
 Crystal chemistry, cation ordering and thermoelastic
 behavior of CoMgSiO4 olivine at high temperature
 as studied by in situ neutron powder diffraction
 Sample: T = 1000 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              655
_journal_page_last               664
_journal_volume                  32
_journal_year                    2005
_chemical_formula_sum            'Co Mg O4 Si'
_chemical_name_mineral           CoMgSiO4
_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                   4.82045
_cell_length_b                   10.39863
_cell_length_c                   6.07821
_cell_volume                     304.677
_diffrn_ambient_temperature      1273.15
_exptl_crystal_density_diffrn    3.822
_[local]_cod_chemical_formula_sum_orig '(Co Mg) Si O4'
_cod_database_code               9007410
_amcsd_database_code             AMCSD#0008955
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
Co1 0.00000 0.00000 0.00000 0.65900 0.01773
Mg1 0.00000 0.00000 0.00000 0.34100 0.01773
Co2 0.98750 0.27961 0.25000 0.34100 0.02268
Mg2 0.98750 0.27961 0.25000 0.65900 0.02268
Si 0.42490 0.09516 0.25000 1.00000 0.01518
O1 0.76400 0.09441 0.25000 1.00000 0.02242
O2 0.21710 0.45040 0.25000 1.00000 0.02325
O3 0.28010 0.16480 0.03503 1.00000 0.02233