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#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000351.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_9000351
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 = 400 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
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.29
_cell_angle_gamma                90
_cell_length_a                   9.597
_cell_length_b                   8.751
_cell_length_c                   5.274
_cell_volume                     422.913
_diffrn_ambient_temperature      673.15
_[local]_cod_chemical_formula_sum_orig 'Si2 Cr Na O6'
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 0.29200 0.09180 0.23280
Cr1 0.00000 0.90720 0.25000
Na2 0.00000 0.30010 0.25000
O1 0.11390 0.07940 0.13690
O2 0.36070 0.25710 0.30120
O3 0.35210 0.00990 0.00620
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 0.00757 0.00698 0.01569 -0.00081 0.00477 -0.00033
Cr1 0.00825 0.00757 0.01575 0.00000 0.00458 0.00000
Na2 0.03058 0.01300 0.02337 0.00000 -0.00082 0.00000
O1 0.00949 0.01207 0.01936 -0.00134 0.00650 0.00022
O2 0.01497 0.00830 0.02679 -0.00544 0.00626 -0.00491
O3 0.01378 0.01463 0.02027 0.00150 0.00655 -0.00188
_cod_database_code 9000351