#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9008144.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_9008144
_chemical_name 'Na2Al22O34'
loop_
_publ_author_name
'Felsche J'
_journal_name_full "Zeitschrift fur Kristallographie"
_journal_volume 127
_journal_year 1968
_journal_page_first 94
_journal_page_last 100
_publ_section_title
;
 The alkali problem in the crystal structure of beta alumina
;
_chemical_formula_sum 'Al11 Na O17'
_cell_length_a 5.5962
_cell_length_b 5.5962
_cell_length_c 22.526
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 610.944
_symmetry_space_group_name_H-M 'P 63/m m c'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x,x-y,1/2-z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  'y,x,-z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x+y,y,1/2-z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x,-x+y,-z'
  'x-y,x,-z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  '-y,-x,1/2-z'
  '-y,x-y,1/2-z'
  'y,-x+y,1/2+z'
  '-x+y,y,z'
  'x-y,-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Al1   0.16650   0.33310   0.60600   0.00583
Al2   0.33333   0.66667   0.02480   0.00481
Al3   0.33333   0.66667   0.17530   0.00481
Al4   0.00000   0.00000   0.00000   0.00532
Na   0.66667   0.33333   0.25000   0.02356
O1   0.16240   0.32490   0.04960   0.00874
O2   0.50160   0.00320   0.14640   0.00494
O3   0.33333   0.66667   0.55400   0.00456
O4   0.00000   0.00000   0.14210   0.00545
O5   0.33333   0.66667   0.25000   0.01216