#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/39/1533909.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_1533909
loop_
_publ_author_name
'Orosel, D.'
'Leynaud, O.'
'Balog, P.'
'Jansen, M.'
_publ_section_title
;
 Pressure-temperature phase diagram of Se O2. Characterization of new
 phases
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1631
_journal_page_last               1638
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'O2 Se'
_chemical_name_systematic        'Se O2'
_space_group_IT_number           26
_symmetry_space_group_name_Hall  'P 2c -2'
_symmetry_space_group_name_H-M   'P m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.071
_cell_length_b                   4.4832
_cell_length_c                   14.9672
_cell_volume                     340.269
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Orosel_JSSCBI_2004_1688.cif
_cod_data_source_block           O2Se1
_cod_original_formula_sum        'O2 Se1'
_cod_database_code               1533909
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x,y,z
x,-y,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
O3 O-2 0.5 0.617 0.486 1 0.0
Se1 Se+4 0.5 0.027 0 1 0.0
Se2 Se+4 0.5 0.511 0.2492 1 0.0
O5 O-2 0.254 0.624 0.176 1 0.0
Se3 Se+4 0 0.107 0.6894 1 0.0
O1 O-2 0 0.476 0.337 1 0.0
Se4 Se+4 0 0.344 0.4369 1 0.0
O2 O-2 0 0.027 0.09 1 0.0
O6 O-2 0.248 0.061 0.419 1 0.0
O4 O-2 0.5 0.166 0.225 1 0.0
