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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/11/7221193.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_7221193
loop_
_publ_author_name
'Burschka, C.'
'Bronger, W.'
_publ_section_title
;
 K Cu3 S2, ein neues Thiocuprat
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (2,1947-32,1977)
;
_journal_page_first              11
_journal_page_last               14
_journal_volume                  32
_journal_year                    1977
_chemical_formula_sum            'Cu3 K S2'
_chemical_name_systematic        'K Cu3 S2'
_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                 113.5
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.773
_cell_length_b                   3.946
_cell_length_c                   8.182
_cell_volume                     437.404
_citation_journal_id_ASTM        ZENBAX
_cod_data_source_file            Burschka_ZENBAX_1977_128.cif
_cod_data_source_block           Cu3K1S2
_cod_original_cell_volume        437.4043
_cod_original_formula_sum        'Cu3 K1 S2'
_cod_database_code               7221193
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
Cu3 Cu+1 0.0606 0 0.4021 1 0.0
S1 S-2 0.1953 0 0.6847 1 0.0
Cu2 Cu+1 0.1884 0.5 0.4265 1 0.0
K1 K+1 0.1346 0 0.0433 1 0.0
Cu1 Cu+1 0.0964 0.5 0.6436 1 0.0
S2 S-2 0.5204 0 0.2395 1 0.0
