#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/90/1539033.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_1539033
loop_
_publ_author_name
'Potel, M.'
'Gougeon, P.'
'Chevrel, R.'
'Sergent, M.'
_publ_section_title
;
 Labilite des cations dans les chalcogenures ternaires de molybdene: voies
 d'acces a de nouvelles syntheses
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              509
_journal_page_last               536
_journal_volume                  21
_journal_year                    1984
_chemical_formula_sum            'Mo3 S4'
_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            6
_cell_length_a                   9.2
_cell_length_b                   9.2
_cell_length_c                   10.88
_cell_volume                     797.508
_citation_journal_id_ASTM        RVCMA8
_cod_data_source_file            Potel_RVCMA8_1984_724.cif
_cod_data_source_block           Mo3S4
_cod_original_cell_volume        797.5082
_cod_database_code               1539033
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
Mo1 Mo 0.8233 0.8392 0.3896 1 0.0
S1 S 0 0 0.21711 1 0.0
S2 S 0.9684 0.6817 0.4185 1 0.0
