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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/03/12/4031233.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_4031233
loop_
_publ_author_name
'Dewan, J.C.'
'Edwards, A.J.'
_publ_section_title
;
 Fluoride crystal structures. Part 27. Seleninyl difluoride at -35 C
;
_journal_name_full
;
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry 
(1972-)
;
_journal_page_first              2433
_journal_page_last               2435
_journal_volume                  1976
_journal_year                    1976
_chemical_formula_sum            'F2 O Se'
_chemical_name_systematic        'Se O F2'
_space_group_IT_number           29
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.65
_cell_length_b                   7.46
_cell_length_c                   6.24
_cell_volume                     263.010
_citation_journal_id_ASTM        JCDTBI
_cod_data_source_file            Dewan_JCDTBI_1976_653.cif
_cod_data_source_block           F2O1Se1
_cod_original_cell_volume        263.0098
_cod_original_formula_sum        'F2 O1 Se1'
_cod_database_code               4031233
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x+1/2,y,z+1/2
x+1/2,-y,z
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
F1 F-1 0.15 0.399 0.283 1 0.0
O1 O-2 0.246 0.095 0.115 1 0.0
Se1 Se+4 0.038 0.1917 0.25 1 0.0
F2 F-1 -0.117 0.273 0.034 1 0.0
