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#$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $
#$Revision: 77586 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/30/9003052.cif $
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#
# 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_9003052
loop_
_publ_author_name
'Origlieri, M. J.'
'Downs, R. T.'
'Thompson, R. M.'
'Pommier, C. J. S.'
'Denton, M. B.'
'Harlow, G. E.'
_publ_section_title
;
 High-pressure crystal structure of kosmochlor, NaCrSi2O6, and systematics of
 anisotropic compression in pyroxenes
 Sample: P = 7.23 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1025
_journal_page_last               1032
_journal_volume                  88
_journal_year                    2003
_chemical_formula_structural     NaCr(Si2O6)
_chemical_formula_sum            'Cr Na O6 Si2'
_chemical_name_mineral           Kosmochlor
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.915
_cell_angle_gamma                90
_cell_length_a                   9.4105
_cell_length_b                   8.5481
_cell_length_c                   5.1727
_cell_volume                     398.100
_diffrn_ambient_pressure         7.23e+06
_exptl_crystal_density_diffrn    3.790
_[local]_cod_chemical_formula_sum_orig 'Na Cr Si2 O6'
_cod_database_code               9003052
_amcsd_database_code             AMCSD#0003140
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,-y,-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
Na2 0.00000 0.30250 0.25000 0.01520
Cr1 0.00000 0.90860 0.25000 0.00874
Si 0.29290 0.09330 0.23480 0.00887
O1 0.11480 0.08200 0.14100 0.01013
O2 0.35880 0.26240 0.31200 0.01013
O3 0.35700 0.01610 0.00300 0.01140