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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/9/9010377.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_9010377
loop_
_publ_author_name
'McCarthy, A. C.'
'Downs, R. T.'
'Thompson, R. M.'
_publ_section_title
;
 Compressibility trends of the clinopyroxenes, and in-situ high-pressure
 single-crystal X-ray diffraction study of jadeite
 Locality: Clear Creek, San Benito County, California
 Sample: P = 6.12 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              198
_journal_page_last               209
_journal_volume                  93
_journal_year                    2008
_chemical_formula_sum            'Al Na O6 Si2'
_chemical_name_mineral           Jadeite
_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                 107.054
_cell_angle_gamma                90
_cell_length_a                   9.2793
_cell_length_b                   8.4446
_cell_length_c                   5.1474
_cell_volume                     385.614
_diffrn_ambient_pressure         6.12e+06
_[local]_cod_data_source_file    04506.cif
_[local]_cod_data_source_block   global
_[local]_cod_chemical_formula_sum_orig 'Na Al Si2 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
_atom_site_U_iso_or_equiv
NaM2 0.00000 0.30290 0.25000 0.01393
AlM1 0.00000 0.90760 0.25000 0.00836
Si 0.29140 0.09460 0.22890 0.00823
O1 0.10860 0.07870 0.12940 0.00823
O2 0.36010 0.26580 0.30020 0.01102
O3 0.35620 0.01280 0.00180 0.01026
_cod_database_code 9010377