data_51500-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                51500
_audit_creation_date               2003/04/01
_chemical_name_systematic          Ozone
_chemical_formula_structural       O3
_chemical_formula_sum              O3
_publ_section_title
;
Powder diffraction study on solid ozone
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Solid State Sciences' 2001 3 195 202 SSSCFJ
_publ_author_name                  'Marx, R.;Ibberson, R.M.'
_cell_length_a                     7.7888(2)
_cell_length_b                     6.6973(2)
_cell_length_c                     6.8413(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       356.87
_cell_formula_units_Z              8
_symmetry_space_group_name_H-M     'P b c a'
_symmetry_Int_Tables_number        61
_refine_ls_R_factor_all            0.018
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'x+1/2, y, -z+1/2'
  2	'x, -y+1/2, z+1/2'
  3	'-x+1/2, y+1/2, z'
  4	'-x, -y, -z'
  5	'-x+1/2, -y, z+1/2'
  6	'-x, y+1/2, -z+1/2'
  7	'x+1/2, -y+1/2, -z'
  8	'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
O0+	0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_U_iso_or_equiv
O1 O0+ 8 c 0.2050(4) 0.0585(5) 0.0648(4) 1. 0 0.0191(8) 
O2 O0+ 8 c 0.1240(4) 0.1537(4) 0.1835(4) 1. 0 0.0152(7) 
O3 O0+ 8 c 0.0006(5) 0.2611(5) 0.1394(3) 1. 0 0.0155(7) 

#End of data_51500-ICSD


