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#$Date: 2015-07-13 04:58:04 +0300 (Mon, 13 Jul 2015) $
#$Revision: 149266 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/76/1527605.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_1527605
loop_
_publ_author_name
'de Jonge, R.'
'Popma, T.J.A.'
'Wiegers, G.A.'
'Jellinek, F.'
_publ_section_title
;
 Structure and phase transitions of molybdenum(III) sulfide and some
 related phases
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              188
_journal_page_last               192
_journal_volume                  2
_journal_year                    1970
_chemical_formula_sum            'Mo2 S3'
_chemical_name_systematic        'Mo2.06 S3'
_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                 102.43
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.092
_cell_length_b                   3.208
_cell_length_c                   8.6335
_cell_volume                     164.771
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            deJonge_JSSCBI_1970_1946.cif
_cod_data_source_block           Mo2S3
_cod_original_cell_volume        164.7707
_cod_database_code               1527605
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
Mo1 Mo+3 0.31 0.25 0.009 1 0.0
S1 S-2 0.505 0.25 0.803 1 0.0
S2 S-2 0.963 0.25 0.161 1 0.0
S3 S-2 0.729 0.25 0.516 1 0.0
Mo2 Mo+3 0.108 0.25 0.632 1 0.0
