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#$Date: 2015-10-10 06:17:57 +0300 (Sat, 10 Oct 2015) $
#$Revision: 164649 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/27/7222752.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_7222752
loop_
_publ_author_name
'Kniep, R.'
'Korte, L.'
'Mootz, D.'
_publ_section_title
;
 Kristallstrukturen von Verbindungen A2 X2 (A= S,Se; X= Cl,Br)
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (33,1978-41,1986)
;
_journal_page_first              1
_journal_page_last               6
_journal_volume                  38
_journal_year                    1983
_chemical_formula_sum            'Br2 Se2'
_chemical_name_systematic        'Se2 Br2'
_space_group_IT_number           41
_symmetry_space_group_name_Hall  'A 2 -2ab'
_symmetry_space_group_name_H-M   'A b a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.069
_cell_length_b                   6.744
_cell_length_c                   5.309
_cell_volume                     503.725
_citation_journal_id_ASTM        ZNBAD2
_cod_data_source_file            Kniep_ZNBAD2_1983_125.cif
_cod_data_source_block           Br2Se2
_cod_database_code               7222752
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x+1/2,y+1/2,z
x+1/2,-y+1/2,z
x,y+1/2,z+1/2
-x,-y+1/2,z+1/2
-x+1/2,y+1,z+1/2
x+1/2,-y+1,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
Br1 Br-1 0.16639 0.0611 0 1 0.0
Se1 Se+1 0.05184 0.1277 0.3126 1 0.0
