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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/25/4002550.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_4002550
loop_
_publ_author_name
'Lee Chishen'
'Safa-Sefat, A.'
'Greedan, J.E.'
'Kleinke, H.'
_publ_section_title
;
 Syntehsis, structure and physical properties of mixed valent Mo2 Sb S2,
 the first superconducting antimonide-sulfide
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              780
_journal_page_last               786
_journal_volume                  15
_journal_year                    2003
_chemical_formula_sum            'Mo2 S2 Sb'
_chemical_name_systematic        'Mo2 Sb S2'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.443
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.5092
_cell_length_b                   3.18231
_cell_length_c                   9.3548
_cell_volume                     186.782
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            LeeChishen_CMATEX_2003_328.cif
_cod_data_source_block           Mo2S2Sb1
_cod_original_cell_volume        186.7819
_cod_original_formula_sum        'Mo2 S2 Sb1'
_cod_database_code               4002550
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-y-1/2,z
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-2 0.2783 0.25 0.9891 1 0.0
Mo1 Mo+3 0.6645 0.25 0.4802 1 0.0
Sb1 Sb-2 0.9971 0.25 0.3378 1 0.0
S1 S-2 0.526 0.25 0.6933 1 0.0
Mo2 Mo+3 0.8943 0.25 0.8857 1 0.0
