#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/92/1539286.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_1539286
loop_
_publ_author_name
'Takeuchi, Y.'
'Nowacki, W.'
'Ghose, S.'
_publ_section_title
;
 The crystal structure of the thallium-lead sulfosalt hutchinsonite
;
_journal_name_full               Chimia
_journal_page_first              215
_journal_page_last               217
_journal_volume                  18
_journal_year                    1964
_chemical_formula_sum            'As5 Pb S9 Tl'
_chemical_name_systematic        'Tl Pb As5 S9'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.86
_cell_length_b                   35.45
_cell_length_c                   8.16
_cell_volume                     3141.494
_citation_journal_id_ASTM        CHIMAD
_cod_data_source_file            Takeuchi_CHIMAD_1964_1913.cif
_cod_data_source_block           As5Pb1S9Tl1
_cod_original_formula_sum        'As5 Pb1 S9 Tl1'
_cod_database_code               1539286
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z
x,-y-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
S5 S-2 0.1089 0.1453 0.895 1 0.0
S3 S-2 0.1186 0.2529 0.3645 1 0.0
As5 As+3 0.3817 0.0291 0.9536 1 0.0
Tl1 Tl+1 0.3587 0.24641 0.1061 0.5 0.0
S6 S-2 0.392 0.0145 0.6866 1 0.0
S8 S-2 0.435 0.0677 0.3326 1 0.0
Tl2 Tl+1 0.3362 0.1226 0.6345 0.5 0.0
S7 S-2 0.1978 0.0579 0.947 1 0.0
S1 S-2 0.3891 0.187 0.3657 1 0.0
As2 As+3 0.0996 0.1859 0.126 1 0.0
As3 As+3 0.435 0.1153 0.1378 1 0.0
Pb1 Pb+2 0.3587 0.24641 0.1061 0.5 0.0
S4 S-2 0.1264 0.1389 0.3331 1 0.0
Pb2 Pb+2 0.3362 0.1226 0.6345 0.5 0.0
As4 As+3 0.136 0.0478 0.2183 1 0.0
S9 S-2 0.01 0.0787 0.589 1 0.0
As1 As+3 0.1088 0.1953 0.698 1 0.0
S2 S-2 0.4029 0.1881 0.8723 1 0.0
