#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/22/9012284.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_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_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           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_formula_units_Z            2
_cell_volume                     233.624
_database_code_amcsd             0014038
_exptl_crystal_density_diffrn    2.984
_cod_original_formula_sum        'Na3 Al F6'
_cod_database_code               9012284
loop_
_space_group_symop_operation_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
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014038
