#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000650.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_9000650
_chemical_name 'Barite'
loop_
_publ_author_name
'Miyake M'
'Minato I'
'Morikawa H'
'Iwai S I'
_journal_name_full "American Mineralogist"
_journal_volume 63
_journal_year 1978
_journal_page_first 506
_journal_page_last 510
_publ_section_title
;
 Crystal structure and sulphate force constants of barite, celesite, and
 anglesite
;
_chemical_formula_sum 'Ba S O4'
_cell_length_a 7.157
_cell_length_b 8.884
_cell_length_c 5.457
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 346.971
_symmetry_space_group_name_H-M 'P b n m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba   0.15850   0.18450   0.25000
S   0.19110   0.43750   0.75000
O1   0.10600   0.58780   0.75000
O2   0.04940   0.31770   0.75000
O3   0.31140   0.41990   0.97020