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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/22/9012286.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_9012286
loop_
_publ_author_name
'Zhou, Q.'
'Kennedy, B. J.'
_publ_section_title
;High-temperature powder synchrotron diffraction studies of synthetic cryolite
 Na3AlF6 Locality: synthetic Sample: T = 600 C, disordered model
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              654
_journal_page_last               659
_journal_paper_doi               10.1016/j.jssc.2003.08.012
_journal_volume                  177
_journal_year                    2004
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al F6 Na3'
_chemical_name_mineral           Cryolite
_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                   7.935
_cell_length_b                   7.935
_cell_length_c                   7.935
_cell_formula_units_Z            4
_cell_volume                     499.621
_database_code_amcsd             0014040
_diffrn_ambient_temperature      873.15
_exptl_crystal_density_diffrn    2.791
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Na3 Al F6'
_cod_database_code               9012286
loop_
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loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Na1 0.00000 0.00000 0.00000 1.00000 0.04686
Na2 0.25000 0.25000 0.25000 1.00000 0.07979
Al 0.50000 0.50000 0.50000 1.00000 0.02533
F 0.04680 0.04680 0.28280 0.25000 0.03166
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014040
