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#$Date: 2015-07-11 16:08:19 +0300 (Sat, 11 Jul 2015) $
#$Revision: 144806 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/11/7221195.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_7221195
loop_
_publ_author_name
'Burschka, C.'
_publ_section_title
;
 Zur Kristallstruktur der Thiocuprate K3 Cu8 S6 und Rb3 Cu8 S6
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (33,1978-41,1986)
;
_journal_page_first              675
_journal_page_last               677
_journal_volume                  34
_journal_year                    1979
_chemical_formula_sum            'Cu8 K3 S6'
_chemical_name_systematic        'K3 Cu8 S6'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.12
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.332
_cell_length_b                   3.83
_cell_length_c                   9.889
_cell_volume                     636.614
_citation_journal_id_ASTM        ZNBAD2
_cod_data_source_file            Burschka_ZNBAD2_1979_377.cif
_cod_data_source_block           Cu8K3S6
_cod_database_code               7221195
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
K1 K+1 0 0.5 0 1 0.0
S1 S-2 0.1558 0 0.0181 1 0.0
Cu4 Cu+1 0.4819 0 0.3534 1 0.0
Cu2 Cu+1 0.4092 0.5 0.4761 1 0.0
Cu3 Cu+1 0.2967 0 0.0626 1 0.0
S3 S-2 0.3448 0 0.3586 1 0.0
Cu1 Cu+1 0.3914 0.5 0.2131 1 0.0
S2 S-2 0.037 0 0.2917 1 0.0
K2 K+1 0.189 0.5 0.2991 1 0.0
