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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/79/1537987.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_1537987
loop_
_publ_author_name
'Fedorov, V.E.'
'Mishchenko, A.V.'
'Kirik, S.D.'
'Logvinenko, Z.M.'
_publ_section_title
;
 Stoichiometry of ternary molybdenum sulfide Pb Mo6 S8
;
_journal_name_full
;
Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)
;
_journal_page_first              17
_journal_page_last               22
_journal_volume                  18
_journal_year                    1982
_chemical_formula_sum            'Mo6 Pb S8'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   9.198
_cell_length_b                   9.198
_cell_length_c                   11.442
_cell_volume                     838.338
_citation_journal_id_ASTM        INOMAF
_cod_data_source_file            Fedorov_INOMAF_1982_705.cif
_cod_data_source_block           Mo6Pb1S8
_cod_original_cell_volume        838.3385
_cod_original_formula_sum        'Mo6 Pb1 S8'
_cod_database_code               1537987
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
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
S1 S 0 0 0.243 1 0.0
S2 S 0.9662 0.673 0.4165 1 0.0
Pb1 Pb 0 0 0 1 0.0
Mo1 Mo 0.8263 0.839 0.4017 1 0.0
