#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/29/1522998.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_1522998
loop_
_publ_author_name
'Teske, C.L.'
_publ_section_title
;
 Darstellung und Kristallstruktur von Barium-Cadmium-Thiostannat(IV) Ba Cd
 Sn S4
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              163
_journal_page_last               168
_journal_volume                  460
_journal_year                    1980
_chemical_formula_sum            'Ba Cd S4 Sn'
_chemical_name_systematic        'Ba Cd (Sn S4)'
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            32
_cell_length_a                   21.86
_cell_length_b                   21.69
_cell_length_c                   13.18
_cell_volume                     6249.210
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Teske_ZAACAB_1980_946.cif
_cod_data_source_block           Ba1Cd1S4Sn1
_cod_original_cell_volume        6249.21
_cod_original_formula_sum        'Ba1 Cd1 S4 Sn1'
_cod_database_code               1522998
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x+1/4,y+1/4,z+1/4
x+3/4,-y+3/4,z+1/4
x,y+1/2,z+1/2
-x,-y+1/2,z+1/2
-x+1/4,y+3/4,z+3/4
x+3/4,-y+5/4,z+3/4
x+1/2,y,z+1/2
-x+1/2,-y,z+1/2
-x+3/4,y+1/4,z+3/4
x+5/4,-y+3/4,z+3/4
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
-x+3/4,y+3/4,z+1/4
x+5/4,-y+5/4,z+1/4
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
S6 S-2 0.127 0.044 0.401 1 0.0
Cd1 Cd+2 0.1255 0.0756 0.2207 1 0.0
Ba3 Ba+2 0.0026 0.2494 0.2557 1 0.0
S5 S-2 0.122 0.279 0.128 1 0.0
S7 S-2 0.289 0.624 0.366 1 0.0
Cd2 Cd+2 0.1225 0.6117 0.2513 1 0.0
Sn1 Sn+4 0.3741 0.6122 0.251 1 0.0
Sn2 Sn+4 0.1249 0.4322 0.2914 1 0.0
S3 S-2 0.13 0.218 0.379 1 0.0
S2 S-2 0.04 0.383 0.361 1 0.0
S4 S-2 0.124 0.459 0.118 1 0.0
S8 S-2 0.039 0.125 0.119 1 0.0
Ba2 Ba+2 0 0 0.5046 1 0.0
Ba1 Ba+2 0 0 0 1 0.0
S1 S-2 0.208 0.134 0.614 1 0.0
