#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/39/1533907.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_1533907
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            4
_cell_length_a                   5.0722
_cell_length_b                   4.4704
_cell_length_c                   7.5309
_cell_volume                     170.761
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Orosel_JSSCBI_2004_1687.cif
_cod_data_source_block           O2Se1
_cod_original_cell_volume        170.7614
_cod_original_formula_sum        'O2 Se1'
_cod_database_code               1533907
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
O2 O-2 0.247 0.152 0.841 1 0.0
O3 O-2 0.5 0.62 -0.039 1 0.0
O1 O-2 0 0.746 0.672 1 0.0
Se1 Se+4 0.5 0.2516 0 1 0.0
Se2 Se+4 0 0.1219 0.3748 1 0.0
