#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001237.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_9001237
_chemical_name 'BaCuSi2O6'
loop_
_publ_author_name
'Finger L W'
'Hazen R M'
'Hemley R J'
_journal_name_full "American Mineralogist"
_journal_volume 74
_journal_year 1989
_journal_page_first 952
_journal_page_last 955
_publ_section_title
;
 BaCuSi2O6: a new cyclosilicate with four-membered tetrahedral rings
;
_chemical_formula_sum 'Ba Cu Si2 O6'
_cell_length_a 7.042
_cell_length_b 7.042
_cell_length_c 11.133
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 552.083
_symmetry_space_group_name_H-M 'I -4 m 2'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'y,x,-z'
  '1/2+y,1/2+x,1/2-z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  'x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  '-y,-x,-z'
  '1/2-y,1/2-x,1/2-z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-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
Ba1   0.50000   0.00000   0.25000
Ba2   0.00000   0.50000   0.25000
Cu   0.00000   0.00000   0.12250
Si   0.27590   0.27590   0.00000
O1   0.21850   0.16450   0.11900
O2   0.74290   0.00000   0.53000