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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/2/10/69/2106986.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_2106986
loop_
_publ_author_name
'Iglesias, J.E.'
'Steinfink, H.'
_publ_section_title
;
 A variant of the Na Cl structure type: Ba Sn S2
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1480
_journal_page_last               1483
_journal_volume                  29
_journal_year                    1973
_chemical_formula_sum            'Ba S2 Sn'
_chemical_name_systematic        'Ba Sn S2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.058
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.0848
_cell_length_b                   12.1396
_cell_length_c                   6.2356
_cell_volume                     457.115
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Iglesias_ACBCAR_1973_1008.cif
_cod_data_source_block           Ba1S2Sn1
_cod_original_cell_volume        457.1149
_cod_original_formula_sum        'Ba1 S2 Sn1'
_cod_database_code               2106986
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
S1 S-2 0.1249 0.1239 0.2668 1 0.0
S2 S-2 0.5699 0.3381 0.3916 1 0.0
Sn1 Sn+2 0.5412 0.1307 0.3018 1 0.0
Ba1 Ba+2 0.0567 0.3796 0.2589 1 0.0
