#------------------------------------------------------------------------------
#$Date$
#$Revision$
#$URL$
#------------------------------------------------------------------------------
#
# 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_9012284
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 = room temperature
 Note: reported and calculated bond lengths disagree
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              654
_journal_page_last               659
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'Al F6 Na3'
_chemical_name_mineral           Cryolite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.181
_cell_angle_gamma                90
_cell_length_a                   5.3956
_cell_length_b                   5.5821
_cell_length_c                   7.7568
_cell_volume                     233.624
_[local]_cod_data_source_file    12154.cif
_[local]_cod_data_source_block   global
_[local]_cod_chemical_formula_sum_orig 'Na3 Al F6'
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Na1 0.00000 0.00000 0.50000 0.01013
Na2 0.51400 0.94920 0.24800 0.01900
Al 0.00000 0.00000 0.00000 0.01520
F1 0.10430 0.04710 0.21970 0.00887
F2 0.72650 0.17730 0.04880 0.01393
F3 0.16450 0.27460 0.93680 0.01140