#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007889.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_9007889
_chemical_name 'CO2'
loop_
_publ_author_name
'Downs R T'
'Somayazulu M'
_journal_name_full "Acta Crystallographica, Section C"
_journal_volume 54
_journal_year 1998
_journal_page_first 897
_journal_page_last 898
_publ_section_title
;
 Carbon dioxide at 1.0 GPa
 Sample: P = 1.0 GPa
 Locality: synthetic
;
_chemical_formula_sum 'C O2'
_cell_length_a 5.4942
_cell_length_b 5.4942
_cell_length_c 5.4942
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 165.849
_symmetry_space_group_name_H-M 'P a 3'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+z,x,1/2-y'
  'z,1/2-x,1/2+y'
  '1/2-z,1/2+x,y'
  '-z,-x,-y'
  '1/2+y,1/2-z,-x'
  '1/2-y,-z,1/2+x'
  '-y,1/2+z,1/2-x'
  'y,z,x'
  'x,1/2-y,1/2+z'
  '1/2-x,1/2+y,z'
  '1/2+x,y,1/2-z'
  '-x,-y,-z'
  '1/2-z,-x,1/2+y'
  '-z,1/2+x,1/2-y'
  '1/2+z,1/2-x,-y'
  'z,x,y'
  '1/2-y,1/2+z,x'
  '1/2+y,z,1/2-x'
  'y,1/2-z,1/2+x'
  '-y,-z,-x'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C   0.00000   0.00000   0.00000
O   0.12070   0.12070   0.12070