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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/05/1530563.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_1530563
loop_
_publ_author_name
'Pena, O.'
'Gougeon, P.'
'Sergent, M.'
'Horyn, R.'
_publ_section_title
;
 Growth of single crystals of the Yb Mo6 S8 phase and refinement of its
 crystal structure
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              225
_journal_page_last               232
_journal_volume                  99
_journal_year                    1984
_chemical_formula_sum            'Mo6 S8 Yb'
_chemical_name_systematic        'Yb Mo6 S8'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-P 3*'
_symmetry_space_group_name_H-M   'R -3 :R'
_cell_angle_alpha                89.374
_cell_angle_beta                 89.374
_cell_angle_gamma                89.374
_cell_formula_units_Z            1
_cell_length_a                   6.5063
_cell_length_b                   6.5063
_cell_length_c                   6.5063
_cell_volume                     275.375
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Pena_JCOMAH_1984_999.cif
_cod_data_source_block           Mo6S8Yb1
_cod_original_cell_volume        275.3753
_cod_original_sg_symbol_Hall     '-R 3 (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'Mo6 S8 Yb1'
_cod_database_code               1530563
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
S2 S-2 0.2397 0.2397 0.2397 1 0.0
S1 S-2 0.3772 0.1266 0.7468 1 0.0
Mo1 Mo+2 0.225 0.41815 0.56046 1 0.0
Yb1 Yb+3 0 0 0 1 0.0
