#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/5/5000213.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_5000213
_chemical_name_systematic          'Sodium hexafluoroaluminate'
_chemical_name_mineral             'Cryolite'
_journal_volume                    99
_journal_year                      1938
_journal_page_first                27
_journal_page_last                 31
_cell_length_a                     5.46
_cell_length_b                     5.61
_cell_length_c                     7.8
_cell_angle_alpha                  90
_cell_angle_beta                   90.18
_cell_angle_gamma                  90
_cell_volume                       238.9
_cell_formula_units_Z              2
_exptl_crystal_density_meas        2.95
_symmetry_space_group_name_H-M     'P 1 21/n 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Al3+   3.000
  Na1+   1.000
  F1-   -1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Al1   Al3+   2 a 0. 0. 0. 1.  0 d
  Na1   Na1+   2 b 0. 0. 0.5 1.  0 d
  Na2   Na1+   4 e 0.5 -0.055 0.24 1.  0 d
  F1    F1-    4 e 0.065 0.06 0.22 1.  0 d
  F2    F1-    4 e -0.29 0.16 0.03 1.  0 d
  F3    F1-    4 e 0.15 0.28 -0.06 1.  0 d