data_global
_chemical_name_mineral 'Oxygen'
loop_
_publ_author_name
'Datchi F'
'Weck G'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 229 
_journal_year 2014
_journal_page_first 135
_journal_page_last 157
_publ_section_title
;
 X-ray crystallography of simple molecular solids up to megabar pressures:
 application to solid oxygen and carbon dioxide
;
_database_code_amcsd 0020612
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'O'
_cell_length_a 7.97
_cell_length_b 5.633
_cell_length_c 3.711
_cell_angle_alpha 90
_cell_angle_beta 116.3
_cell_angle_gamma 90
_cell_volume 149.359
_exptl_crystal_density_diffrn      2.846
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
O1   0.82600   0.00000   0.17400   0.01500
O2   0.24800   0.00000   0.18600   0.01400
O3   0.03600   0.26690   0.18100   0.01800