#------------------------------------------------------------------------------
#$Date: 2019-04-01 15:07:32 +0200 (lun 01 de abr de 2019) $
#$Revision: 214434 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/06/2310634.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2310634
loop_
_publ_author_name
'Mijlhoff, F.C.'
_publ_section_title
;
 The crystal structure of tetragonal selenium trioxide
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              795
_journal_page_last               798
_journal_volume                  18
_journal_year                    1965
_chemical_formula_sum            'O12 Se4'
_chemical_name_systematic        '(Se O3)4'
_space_group_IT_number           114
_symmetry_space_group_name_Hall  'P -4 2n'
_symmetry_space_group_name_H-M   'P -4 21 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.636
_cell_length_b                   9.636
_cell_length_c                   5.28
_cell_volume                     490.261
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Mijlhoff_ACCRA9_1965_1886.cif
_cod_data_source_block           O12Se4
_cod_original_cell_volume        490.2612
_cod_database_code               2310634
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x+1/2,-y+1/2,-z+1/2
-y+1/2,-x+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
y+1/2,x+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
O3 O-2 0.234 0.0995 0.3093 1 0.0
O1 O-2 0.1194 0.1008 -0.1559 1 0.0
O2 O-2 0.3361 -0.0548 -0.1042 1 0.0
Se1 Se+6 0.2237 0.0125 0.063 1 0.0
