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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/9/00/32/9003249.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_9003249
loop_
_publ_author_name
'Walker, D.'
'Verma, P. K.'
'Cranswick, L. M. D.'
'Jones, R. L.'
'Clark, S. M.'
'Buhre, S.'
_publ_section_title
;
 Halite-sylvite thermoelasticity
 Sample: r57196, T = 650 C, P = 25.2 kbar, cell volume = 200.74 ang**3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              204
_journal_page_last               210
_journal_volume                  89
_journal_year                    2004
_chemical_formula_structural     (K.4Na.6)Cl
_chemical_formula_sum            'Cl K0.4 Na0.6'
_chemical_name_mineral           (K.4Na.6)Cl
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.8552
_cell_length_b                   5.8552
_cell_length_c                   5.8552
_cell_volume                     200.736
_diffrn_ambient_pressure         2.52e+06
_diffrn_ambient_temperature      923.15
_exptl_crystal_density_diffrn    2.147
_[local]_cod_cif_authors_sg_H-M  'F m 3 m'
_[local]_cod_chemical_formula_sum_orig '(K.4 Na.6) Cl'
_cod_database_code               9003249
_amcsd_database_code             AMCSD#0003337
loop_
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loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K 0.00000 0.00000 0.00000 0.40000
Na 0.00000 0.00000 0.00000 0.60000
Cl 0.50000 0.50000 0.50000 1.00000