#------------------------------------------------------------------------------
#$Date: 2016-02-13 13:50:18 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/42/1524229.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_1524229
loop_
_publ_author_name
'Clauss, A.'
'Warasteh, M.'
'Weber, K.'
_publ_section_title
;
 Kristallchemische Untersuchung der Mischungsreihe Ni3 Pb2 S2 - Ni3 Pb2
 Se2 sowie eine Bemerkung zur Shandit-Struktur
;
_journal_name_full
;
Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)
;
_journal_page_first              256
_journal_page_last               268
_journal_volume                  1978
_journal_year                    1978
_chemical_formula_sum            'Ni3 S2 Sn2'
_chemical_name_systematic        'Ni3 Sn2 S2'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                60.68
_cell_angle_beta                 60.68
_cell_angle_gamma                60.68
_cell_formula_units_Z            1
_cell_length_a                   5.404
_cell_length_b                   5.404
_cell_length_c                   5.404
_cell_volume                     113.304
_citation_journal_id_ASTM        NJMMAW
_cod_data_source_file            Clauss_NJMMAW_1978_236.cif
_cod_data_source_block           Ni3S2Sn2
_cod_original_cell_volume        113.3044
_cod_original_sg_symbol_Hall     '-R 3 2" (-y+z,x+z,-x+y+z)'
_cod_database_code               1524229
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
-y,-x,-z
-z,-y,-x
-x,-z,-y
-x,-y,-z
-z,-x,-y
-y,-z,-x
y,x,z
z,y,x
x,z,y
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
Sn2 Sn+2 0.5 0.5 0.5 1 0.0
S1 S-2 0.215 0.215 0.215 1 0.0
Sn1 Sn+2 0 0 0 1 0.0
Ni1 Ni 0 0.5 0.5 1 0.0
