#------------------------------------------------------------------------------
#$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $
#$Revision: 255 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009242.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_9009242
loop_
_publ_author_name
'Park J H'
'Yoo C S'
'Iota V'
'Cynn H'
'Nicol M F'
'Le Bihan T'
_publ_section_title
;
 Crystal structure of bent carbon dioxide phase IV
 Sample: P = 15 GPa, the authors think this structure is correct
;
_journal_name_full               'Physical Review B'
_journal_page_first              014107
_journal_page_last               014107
_journal_volume                  68
_journal_year                    2003
_chemical_formula_sum            'C O2'
_chemical_name_mineral           CO2
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.3441
_cell_length_b                   6.111
_cell_length_c                   4.285
_cell_volume                     113.753
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_U_iso_or_equiv
C 0.00000 0.32300 0.25000 0.16900
O 0.27200 0.37000 0.46700 0.08400