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#$Date: 2013-05-05 17:21:46 +0300 (Sun, 05 May 2013) $
#$Revision: 85285 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/66/9006645.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_9006645
loop_
_publ_author_name
'Miletich, R.'
'Nowak, M.'
'Seifert, F.'
'Angel, R. J.'
'Brandstatter, G.'
_publ_section_title
;
 High-pressure crystal chemistry of chromous orthosilicate, Cr2SiO4.
 A single-crystal X-ray diffraction and electronic absorption
 spectroscopy study
 Sample: P = 9.220 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              446
_journal_page_last               459
_journal_volume                  26
_journal_year                    1999
_chemical_formula_structural     Cr2SiO4
_chemical_formula_sum            'Cr2 O4 Si'
_space_group_IT_number           70
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.6374
_cell_length_b                   11.0375
_cell_length_c                   9.1192
_cell_volume                     567.422
_diffrn_ambient_pressure         9.22e+06
_exptl_crystal_density_diffrn    4.590
_[local]_cod_cif_authors_sg_H-M  'F d d d'
_[local]_cod_chemical_formula_sum_orig 'Cr2 Si O4'
_cod_database_code               9006645
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
3/4+x,-y,3/4+z
3/4+x,1/2-y,1/4+z
1/4+x,-y,1/4+z
1/4+x,1/2-y,3/4+z
3/4-x,y,3/4-z
3/4-x,1/2+y,1/4-z
1/4-x,y,1/4-z
1/4-x,1/2+y,3/4-z
-x,3/4+y,3/4+z
-x,1/4+y,1/4+z
1/2-x,3/4+y,1/4+z
1/2-x,1/4+y,3/4+z
x,3/4-y,3/4-z
x,1/4-y,1/4-z
1/2+x,3/4-y,1/4-z
1/2+x,1/4-y,3/4-z
3/4+x,3/4+y,-z
3/4+x,1/4+y,1/2-z
1/4+x,3/4+y,1/2-z
1/4+x,1/4+y,-z
3/4-x,3/4-y,z
3/4-x,1/4-y,1/2+z
1/4-x,3/4-y,1/2+z
1/4-x,1/4-y,z
-x,-y,-z
-x,1/2-y,1/2-z
1/2-x,-y,1/2-z
1/2-x,1/2-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Cr 0.00976 0.00846 0.01298 -0.00050 0.00000 0.00000
Si 0.01022 0.00796 0.00881 0.00000 0.00000 0.00000
O 0.01199 0.01049 0.01340 -0.00987 0.00286 -0.00286
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cr 0.12500 0.12500 0.48168 0.01039
Si 0.12500 0.12500 0.12500 0.00899
O -0.04170 0.04940 0.23560 0.01191