#------------------------------------------------------------------------------
#$Date: 2016-02-16 21:30:59 +0100 (mar 16 de feb de 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/17/4001731.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_4001731
loop_
_publ_author_name
'Kanatzidis, M.G.'
'Liao, J.-H.'
_publ_section_title
;
 Quaternary Rb2Cu2SnS4,A2Cu2Sn2S6 (A=Na,K,Rb,Cs), A2Cu2Sn2Se6 (A=K,Rb),
 K2Au2SnS4 and K2Au2Sn2S6. Syntheses, structures and properties of new
 solid-state chalcogenides based on tetrahedral (SnS4)(4-) units
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              1561
_journal_page_last               1569
_journal_volume                  5
_journal_year                    1993
_chemical_formula_sum            'Au2 K2 S4 Sn'
_chemical_name_systematic        'K2 (Au2 Sn S4)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.82
_cell_angle_beta                 111.72
_cell_angle_gamma                72
_cell_formula_units_Z            2
_cell_length_a                   8.212
_cell_length_b                   9.11
_cell_length_c                   7.314
_cell_volume                     483.298
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            gold_529.cif
_cod_data_source_block           Au2K2S4Sn1
_cod_original_cell_volume        483.2978
_cod_original_formula_sum        'Au2 K2 S4 Sn1'
_cod_database_code               4001731
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
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
K2 K+1 0.186 0.5796 0.783 1 0.0
Au1 Au+1 0.3306 0.42189 0.2678 1 0.0
S1 S-2 0.5829 0.2189 0.2774 1 0.0
S4 S-2 0.4964 0.7443 0.2133 1 0.0
S2 S-2 0.0852 0.6343 0.24 1 0.0
Sn1 Sn+4 0.7245 0.1941 0.6254 1 0.0
S3 S-2 0.9194 0.9375 0.7084 1 0.0
Au2 Au+1 0.7123 0.8297 0.4683 1 0.0
K1 K+1 0.2549 0.0792 0.9707 1 0.0
