#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000508.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_9000508
_chemical_name 'Celsian'
loop_
_publ_author_name
'Griffen D T'
'Ribbe P H'
_journal_name_full "American Mineralogist"
_journal_volume 61
_journal_year 1976
_journal_page_first 414
_journal_page_last 418
_publ_section_title
;
 Refinement of the crystal structure of celsian
;
_chemical_formula_sum 'Ba (Al2 Si2) O8'
_cell_length_a 8.622
_cell_length_b 13.078
_cell_length_c 14.411
_cell_angle_alpha 90
_cell_angle_beta 115.1
_cell_angle_gamma 90
_cell_volume 1471.516
_symmetry_space_group_name_H-M 'I 1 2/c 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ba1   0.28270   0.00000   0.06530   1.00000
Al1   0.00960   0.18200   0.11030   0.50000
Si1   0.00960   0.18200   0.11030   0.50000
Al2   0.00760   0.18300   0.61480   0.50000
Si2   0.00760   0.18300   0.61480   0.50000
Al3   0.70540   0.12140   0.17300   0.50000
Si3   0.70540   0.12140   0.17300   0.50000
Al4   0.70190   0.11630   0.67430   0.50000
Si4   0.70190   0.11630   0.67430   0.50000
O1   0.00050   0.13770  -0.00020   1.00000
O2   0.62060  -0.00030   0.14380   1.00000
O3   0.83490   0.13680   0.11190   1.00000
O4   0.81980   0.13700   0.61360   1.00000
O5   0.02200   0.30620   0.12100   1.00000
O6   0.02930   0.31200   0.63120   1.00000
O7   0.18360   0.12960   0.19580   1.00000
O8   0.19000   0.12310   0.70170   1.00000