#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009648.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_9009648
_chemical_name 'Hexacelsian'
loop_
_publ_author_name
'Kremenovic A'
'Colomban P'
'Piriou B'
'Massiot D'
'Florian P'
_journal_name_full "Journal of Physics and Chemistry of Solids"
_journal_volume 64
_journal_year 2003
_journal_page_first 2253
_journal_page_last 2268
_publ_section_title
;
 Structural and spectroscopic characterization of the quenched hexacelsian
;
_chemical_formula_sum '(Ba.99 Eu.01) (Si2 Al2) O8'
_cell_length_a 5.2920
_cell_length_b 5.2920
_cell_length_c 15.557
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 377.308
_symmetry_space_group_name_H-M 'P 63/m c m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-x+y,z'
  'x,x-y,-z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  '-y,-x,1/2+z'
  'y,x,1/2-z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x-y,-y,z'
  '-x+y,y,-z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x,x-y,1/2+z'
  '-x,-x+y,1/2-z'
  'x-y,x,-z'
  '-x+y,-x,z'
  'y,x,z'
  '-y,-x,-z'
  '-y,x-y,1/2-z'
  'y,-x+y,1/2+z'
  '-x+y,y,1/2+z'
  'x-y,-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_occupancy
_atom_site_Uiso_or_equiv
Ba   0.00000   0.00000   0.00000   0.99000   0.02026
Eu   0.00000   0.00000   0.00000   0.01000   0.02026
Si   0.33333   0.66667   0.14500   0.50000   0.01140
Al   0.33333   0.66667   0.14500   0.50000   0.01140
O1   0.33333   0.66667   0.25000   1.00000   0.01267
O2   0.48900   0.00000   0.10400   1.00000   0.04559