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#$Date: 2016-01-03 11:27:44 +0200 (Sun, 03 Jan 2016) $
#$Revision: 172466 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/11/1541196.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_1541196
loop_
_publ_author_name
'Makovicky, E.'
'Karup-Moller, S.'
'Johan, Z.'
_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 S4 Sb Tl2'
_chemical_name_systematic        'Cu6.35 Sb Tl2 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_396.cif
_cod_data_source_block           Cu6.35S4Sb1Tl2
_cod_original_cell_volume        502.0624
_cod_chemical_formula_sum_orig   'Cu6.35 S4 Sb1 Tl2'
_cod_database_code               1541196
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
Tl1 Tl 0 0 0.1483 1 0.0
Cu3 Cu 0 0.5 0.057 1 0.0
S2 S 0 0 0.714 1 0.0
Sb1 Sb 0 0 0 1 0.0
Cu2 Cu 0 0.5 0.25 1 0.0
S1 S 0 0 0.593 1 0.0
Cu1 Cu 0 0 0.5 0.35 0.0