data_9009242
_chemical_name 'CO2'
loop_
_publ_author_name
'Park J H'
'Yoo C S'
'Iota V'
'Cynn H'
'Nicol M F'
'Le Bihan T'
_journal_name_full "Physical Review B"
_journal_volume 68
_journal_year 2003
_journal_page_first 014107
_journal_page_last 014107
_publ_section_title
;
 Crystal structure of bent carbon dioxide phase IV
 Sample: P = 15 GPa, the authors think this structure is correct
;
_chemical_formula_sum 'C O2'
_cell_length_a 4.3441
_cell_length_b 6.111
_cell_length_c 4.285
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 113.753
_symmetry_space_group_name_H-M 'P b c n'
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,z'
  '1/2+x,1/2-y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,1/2-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_Uiso_or_equiv
C   0.00000   0.32300   0.25000   0.16900
O   0.27200   0.37000   0.46700   0.08400