#------------------------------------------------------------------------------
#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/03/9000350.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_9000350
loop_
_publ_author_name
'Cameron, M.'
'Sueno, S.'
'Prewitt, C. T.'
'Papike, J. J.'
_publ_section_title
;High-temperature crystal chemistry of acmite, diopside, hedenbergite,
 jadeite, spodumene, and ureyite T = 24 C pyroxene
;
_journal_name_full               'American Mineralogist'
_journal_page_first              594
_journal_page_last               618
_journal_volume                  58
_journal_year                    1973
_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                 107.37
_cell_angle_gamma                90
_cell_length_a                   9.579
_cell_length_b                   8.722
_cell_length_c                   5.267
_cell_volume                     419.980
_diffrn_ambient_temperature      297.15
_exptl_crystal_density_diffrn    3.593
_cod_original_formula_sum        'Si2 Cr Na O6'
_cod_database_code               9000350
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_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
Si 0.00601 0.00505 0.00188 -0.00040 0.00047 -0.00036
Cr1 0.00707 0.00563 0.00293 0.00000 0.00100 0.00000
Na2 0.01482 0.00640 0.00440 0.00000 -0.00277 0.00000
O1 0.00661 0.00682 0.00238 -0.00053 0.00068 0.00089
O2 0.00936 0.00586 0.00483 -0.00259 0.00095 -0.00084
O3 0.00745 0.00925 0.00311 -0.00004 0.00081 -0.00258
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si 0.29210 0.09180 0.23330
Cr1 0.00000 0.90760 0.25000
Na2 0.00000 0.30080 0.25000
O1 0.11400 0.07910 0.13740
O2 0.35990 0.25830 0.30370
O3 0.35310 0.01050 0.00660