#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9006644.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9006644
_space_group_IT_number           70
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_[local]_cod_cif_authors_sg_H-M  'F d d d'
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 = 7.300 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_sum            'Cr2 O4 Si'
_[local]_cod_chemical_formula_sum_orig 'Cr2 Si O4'
_chemical_name_mineral           Cr2SiO4
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.6512
_cell_length_b                   11.0598
_cell_length_c                   9.1910
_cell_volume                     574.448
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_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cr 0.12500 0.12500 0.48137 0.01115
Si 0.12500 0.12500 0.12500 0.00887
O -0.04250 0.05020 0.23440 0.01216
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 0.01035 0.00849 0.01459 -0.00317 0.00000 0.00000
Si 0.00875 0.00799 0.00997 0.00000 0.00000 0.00000
O 0.01128 0.01053 0.01481 -0.00266 0.00139 0.00242