#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/14/7221479.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_7221479
loop_
_publ_author_name
'Hulliger, F.'
'Siegrist, T.'
_publ_section_title
;
 The crystal structures of Ba Se2 and Ba Se3
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (33,1978-41,1986)
;
_journal_page_first              14
_journal_page_last               15
_journal_volume                  36
_journal_year                    1981
_chemical_formula_sum            'Ba Se2'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 118.48
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.82
_cell_length_b                   4.929
_cell_length_c                   9.335
_cell_volume                     397.160
_citation_journal_id_ASTM        ZNBAD2
_cod_data_source_file            Hulliger_ZNBAD2_1981_9.cif
_cod_data_source_block           Ba1Se2
_cod_original_cell_volume        397.1599
_cod_original_formula_sum        'Ba1 Se2'
_cod_database_code               7221479
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-y+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
Ba1 Ba+2 0 0.131 0.25 1 0.0
Se1 Se-1 0.16 0.634 0.5248 1 0.0
