#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/48/1524838.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_1524838
loop_
_publ_author_name
'Makovicky, E.'
'Johan, Z.'
'Karup-Moller, S.'
_publ_section_title
;
 New data on Bukovite, Thalcusite, Chalcothallite and Rohaite
;
_journal_name_full
;
Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-)
;
_journal_page_first              122
_journal_page_last               146
_journal_volume                  138
_journal_year                    1980
_chemical_formula_sum            'Cu6.35 K0.215 S4 Sb Tl1.785'
_chemical_name_systematic        'Tl1.785 K.215 Cu6.35 Sb S4'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.827
_cell_length_b                   3.827
_cell_length_c                   34.28
_cell_volume                     502.062
_citation_journal_id_ASTM        NJMIAK
_cod_data_source_file            Makovicky_NJMIAK_1980_348.cif
_cod_data_source_block           Cu6.35K0.215S4Sb1Tl1.785
_cod_original_cell_volume        502.0624
_cod_original_formula_sum        'Cu6.35 K0.215 S4 Sb1 Tl1.785'
_cod_database_code               1524838
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+1/2,z+1/2
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
Cu2 Cu+1 0 0.5 0.25 1 0.0
Tl1 Tl+1 0 0 0.1483 0.8925 0.0
Sb1 Sb-3 0 0 0 1 0.0
S2 S-2 0.5 0.5 0.214 1 0.0
Cu1 Cu+1 0 0.5 0.057 1 0.0
Cu3 Cu+1 0.5 0.5 0 0.35 0.0
S1 S-2 0.5 0.5 0.093 1 0.0
K1 K+1 0 0 0.1483 0.1075 0.0
