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#$Date: 2014-07-12 09:06:43 +0100 (Sat, 12 Jul 2014) $
#$Revision: 120115 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/74/9007409.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_9007409
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 = 800 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_structural     CoMgSiO4
_chemical_formula_sum            'Co Mg O4 Si'
_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                   4.81065
_cell_length_b                   10.37135
_cell_length_c                   6.06168
_cell_volume                     302.435
_diffrn_ambient_temperature      1073.15
_exptl_crystal_density_diffrn    3.850
_[local]_cod_chemical_formula_sum_orig '(Co Mg) Si O4'
_cod_database_code               9007409
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 0.69400 0.01308
Mg1 0.00000 0.00000 0.00000 0.30600 0.01308
Co2 0.98740 0.28007 0.25000 0.30600 0.01814
Mg2 0.98740 0.28007 0.25000 0.69400 0.01814
Si 0.42500 0.09449 0.25000 1.00000 0.01201
O1 0.76430 0.09452 0.25000 1.00000 0.01703
O2 0.21780 0.44985 0.25000 1.00000 0.01979
O3 0.28001 0.16484 0.03481 1.00000 0.02008
_journal_paper_doi 10.1007/s00269-005-0040-3