#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000352.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_9000352
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 = 600 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'
_[local]_cod_chemical_formula_sum_orig 'Si2 Cr Na O6'
_chemical_name_mineral           Kosmochlor
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.25
_cell_angle_gamma                90
_cell_length_a                   9.612
_cell_length_b                   8.77
_cell_length_c                   5.279
_cell_volume                     424.989
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
Si 0.29210 0.09120 0.23240
Cr1 0.00000 0.90660 0.25000
Na2 0.00000 0.30100 0.25000
O1 0.11400 0.07820 0.13620
O2 0.36110 0.25730 0.30250
O3 0.35190 0.00940 0.00740
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 0.00909 0.00994 0.01339 -0.00102 0.00485 -0.00031
Cr1 0.01003 0.00830 0.01420 0.00000 0.00424 0.00000
Na2 0.04004 0.01664 0.02802 0.00000 -0.00209 0.00000
O1 0.00781 0.01504 0.01420 -0.00131 0.00598 0.00148
O2 0.01908 0.00997 0.02678 -0.00657 0.00872 -0.00211
O3 0.01315 0.01742 0.01913 -0.00110 0.00549 -0.00643