#------------------------------------------------------------------------------
#$Date: 2024-05-02 12:48:35 +0200 (Thu 02 de May de 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/66/9006643.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_9006643
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 = 5.303 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              446
_journal_page_last               459
_journal_paper_doi               10.1007/s002690050207
_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                   5.6650
_cell_length_b                   11.0863
_cell_length_c                   9.2742
_cell_formula_units_Z            8
_cell_volume                     582.456
_database_code_amcsd             0008225
_diffrn_ambient_pressure         5.303e+06
_exptl_crystal_density_diffrn    4.472
_cod_original_sg_symbol_H-M      'F d d d'
_cod_original_formula_sum        'Cr2 Si O4'
_cod_database_code               9006643
_amcsd_formula_title             Cr2SiO4
loop_
_space_group_symop_operation_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 0.01008 0.00853 0.01529 -0.00041 0.00000 0.00000
Si 0.00935 0.00803 0.01020 0.00000 0.00000 0.00000
O 0.01148 0.01059 0.01582 -0.00827 0.00144 -0.00026
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 0.48120 0.01127
Si 0.12500 0.12500 0.12500 0.00925
O -0.04150 0.04920 0.23360 0.01267
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0008225
