#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004097.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_9004097
_chemical_name 'Cryolite'
loop_
_publ_author_name
'Hawthorne F C'
'Ferguson R B'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 13
_journal_year 1975
_journal_page_first 377
_journal_page_last 382
_publ_section_title
;
 Refinement of the crystal structure of cryolite
;
_chemical_formula_sum 'Al Na3 F6'
_cell_length_a 5.4024
_cell_length_b 5.5959
_cell_length_c 7.7564
_cell_angle_alpha 90
_cell_angle_beta 90.278
_cell_angle_gamma 90
_cell_volume 234.483
_symmetry_space_group_name_H-M 'P 1 21/n 1'
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
Al   0.00000   0.00000   0.00000
Na1   0.00000   0.00000   0.50000
Na2   0.51330  -0.05190   0.24740
F1   0.10260   0.04550   0.21940
F2  -0.27320   0.17370   0.04620
F3   0.16340   0.26900  -0.06300