#------------------------------------------------------------------------------
#$Date: 2016-02-16 12:49:47 +0000 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/74/9007408.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_9007408
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 = 600 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              655
_journal_page_last               664
_journal_paper_doi               10.1007/s00269-005-0040-3
_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                   4.80159
_cell_length_b                   10.34656
_cell_length_c                   6.04592
_cell_volume                     300.361
_diffrn_ambient_temperature      873.15
_exptl_crystal_density_diffrn    3.877
_cod_original_formula_sum        '(Co Mg) Si O4'
_cod_database_code               9007408
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 0.69000 0.01287
Mg1 0.00000 0.00000 0.00000 0.31000 0.01287
Co2 0.98800 0.27787 0.25000 0.31000 0.01358
Mg2 0.98800 0.27787 0.25000 0.69000 0.01358
Si 0.42570 0.09582 0.25000 1.00000 0.01001
O1 0.76560 0.09386 0.25000 1.00000 0.01497
O2 0.21730 0.44962 0.25000 1.00000 0.01623
O3 0.27975 0.16435 0.03417 1.00000 0.01580