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#$Date: 2016-01-09 14:12:37 +0200 (Sat, 09 Jan 2016) $
#$Revision: 173980 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/20/1542052.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_1542052
loop_
_publ_author_name
'Marcoll, J.'
'Mootz, D.'
'Rabenau, A.'
'Wunderlich, H.'
_publ_section_title
;
 The Crystal Structures of Mo S2 Cl3 and Mo3 S7 Cl4
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              607
_journal_page_last               615
_journal_volume                  11
_journal_year                    1974
_chemical_formula_sum            'Cl4 Mo3 S7'
_chemical_name_systematic        'Mo3 (S2)3 S Cl4'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 122.9
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.336
_cell_length_b                   12.185
_cell_length_c                   13.956
_cell_volume                     1333.000
_citation_journal_id_ASTM        RVCMA8
_cod_data_source_file            Marcoll_RVCMA8_1974_286.cif
_cod_data_source_block           Cl4Mo3S7
_cod_original_cell_volume        1333
_cod_database_code               1542052
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-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
S2 S-1 0.1134 0.1211 0.0705 1 0.0
S6 S-1 0.0649 0.379 0.0655 1 0.0
Mo2 Mo+4 0.4015 0.1596 0.2235 1 0.0
S5 S-1 0.0985 0.4495 0.2067 1 0.0
Cl4 Cl-1 0.3778 0.5494 0.1136 1 0.0
Mo1 Mo+4 0.1157 0.2449 0.2055 1 0.0
S1 S-1 0.1775 0.0434 0.219 1 0.0
Cl3 Cl-1 0.4711 0.0137 0.1239 1 0.0
Cl2 Cl-1 -0.1909 0.2141 0.09 1 0.0
S3 S-1 0.6234 0.2913 0.2526 1 0.0
S4 S-1 0.4106 0.2817 0.0924 1 0.0
Cl1 Cl-1 0.06 0.2369 0.3594 1 0.0
Mo3 Mo+4 0.3585 0.382 0.2173 1 0.0
S7 S-2 0.3994 0.2649 0.3641 1 0.0
