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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/39/8103944.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_8103944
loop_
_publ_author_name
'Bensch, W.'
'Duerichen, P.'
'Weidlich, C.'
_publ_section_title
;
 Crystal structure of dipotassium copper niobium tetrasulfide, K2 Cu Nb S4
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              931
_journal_page_last               931
_journal_volume                  211
_journal_year                    1996
_chemical_formula_sum            'Cu K2 Nb S4'
_chemical_name_systematic        'K2 Cu (Nb S4)'
_space_group_IT_number           70
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.585
_cell_length_b                   13.132
_cell_length_c                   23.126
_cell_volume                     1696.112
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Bensch_ZEKRDZ_1996_1930.cif
_cod_data_source_block           Cu1K2Nb1S4
_cod_original_formula_sum        'Cu1 K2 Nb1 S4'
_cod_database_code               8103944
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/4,-y+1/4,z
x,-y+1/4,-z+1/4
-x+1/4,y,-z+1/4
-x,-y,-z
x-1/4,y-1/4,-z
-x,y-1/4,z-1/4
x-1/4,-y,z-1/4
x,y+1/2,z+1/2
-x+1/4,-y+3/4,z+1/2
x,-y+3/4,-z+3/4
-x+1/4,y+1/2,-z+3/4
-x,-y+1/2,-z+1/2
x-1/4,y+1/4,-z+1/2
-x,y+1/4,z+1/4
x-1/4,-y+1/2,z+1/4
x+1/2,y,z+1/2
-x+3/4,-y+1/4,z+1/2
x+1/2,-y+1/4,-z+3/4
-x+3/4,y,-z+3/4
-x+1/2,-y,-z+1/2
x+1/4,y-1/4,-z+1/2
-x+1/2,y-1/4,z+1/4
x+1/4,-y,z+1/4
x+1/2,y+1/2,z
-x+3/4,-y+3/4,z
x+1/2,-y+3/4,-z+1/4
-x+3/4,y+1/2,-z+1/4
-x+1/2,-y+1/2,-z
x+1/4,y+1/4,-z
-x+1/2,y+1/4,z-1/4
x+1/4,-y+1/2,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
Cu1 Cu+2 0.625 0.125 0.125 1 0.0
S1 S-2 -0.1139 0.02403 0.18103 1 0.0
K1 K+1 0.125 0.125 0.30346 1 0.0
Nb1 Nb+4 0.125 0.125 0.125 1 0.0
