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#$Date: 2016-02-13 13:50:18 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/50/1525071.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_1525071
loop_
_publ_author_name
'Perrin, C.'
'Chevrel, R.'
'Sergent, M.'
'Fischer, O.'
_publ_section_title
;
 Etude structurale d'un thiohalogenure supraconducteur derivant du Mo(II):
 Mo6 S6 Br2
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1505
_journal_page_last               1515
_journal_volume                  14
_journal_year                    1979
_chemical_formula_sum            'Br2 Mo6 S6'
_chemical_name_systematic        'Mo6 S6 Br2'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-P 3*'
_symmetry_space_group_name_H-M   'R -3 :R'
_cell_angle_alpha                94.43
_cell_angle_beta                 94.43
_cell_angle_gamma                94.43
_cell_formula_units_Z            1
_cell_length_a                   6.503
_cell_length_b                   6.503
_cell_length_c                   6.503
_cell_volume                     272.405
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Perrin_MRBUAC_1979_406.cif
_cod_data_source_block           Br2Mo6S6
_cod_original_cell_volume        272.4053
_cod_original_sg_symbol_Hall     '-R 3 (-y+z,x+z,-x+y+z)'
_cod_database_code               1525071
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
-x,-y,-z
-z,-x,-y
-y,-z,-x
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
Br1 Br-1 0.18894 0.18894 0.18894 1 0.0
Mo1 Mo+2 0.22024 0.40792 0.54803 1 0.0
S1 S-2 0.37551 0.13347 0.7199 1 0.0
