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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/46/4124690.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_4124690
loop_
_publ_author_name
'Templeton, D.H.'
'Zalkin, A.'
'Forrester, J.D.'
'Williamson, S.W.'
_publ_section_title
;
 Crystal and Molecular Structure of Xenon Trioxide
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              817
_journal_page_last               817
_journal_volume                  85
_journal_year                    1963
_chemical_formula_sum            'O3 Xe'
_chemical_name_systematic        'Xe O3'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.163
_cell_length_b                   8.115
_cell_length_c                   5.234
_cell_volume                     261.767
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Templeton_JACSAT_1963_1463.cif
_cod_data_source_block           O3Xe1
_cod_original_cell_volume        261.7667
_cod_original_formula_sum        'O3 Xe1'
_cod_database_code               4124690
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Xe1 Xe+6 0.9438 0.1496 0.2192 1 0.0
O1 O-2 0.537 0.267 0.066 1 0.0
O2 O-2 0.171 0.096 0.406 1 0.0
O3 O-2 0.142 0.454 0.389 1 0.0
