#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/66/2106695.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_2106695
loop_
_publ_author_name
'Kawada, I.'
'Yamaoka, S.'
'Kato, K.'
_publ_section_title
;
 Barium disulphide
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2905
_journal_page_last               2906
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'Ba S2'
_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                 118.37
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.299
_cell_length_b                   4.736
_cell_length_c                   8.993
_cell_volume                     348.485
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Kawada_ACBCAR_1975_350.cif
_cod_data_source_block           Ba1S2
_cod_original_cell_volume        348.4854
_cod_original_formula_sum        'Ba1 S2'
_cod_database_code               2106695
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 0.1446 0.25 1 0.0
S1 S-1 0.1603 0.3545 0.0206 1 0.0
