#------------------------------------------------------------------------------
#$Date: 2015-07-07 14:21:04 +0300 (Tue, 07 Jul 2015) $
#$Revision: 140682 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/10/1521051.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_1521051
loop_
_publ_author_name
'Gautier, R.'
'Picard, S.'
'Gougeon, P.'
'Potel, M.'
_publ_section_title
;
 Synthesis, crystal and electronic structures, and electrical properties
 of Rb2 Mo12 Se14 containing trioctahedral Mo12 clusters
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              93
_journal_page_last               101
_journal_volume                  34
_journal_year                    1999
_chemical_formula_sum            'Mo12 Rb2 Se14'
_chemical_name_systematic        'Rb2 Mo12 Se14'
_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            3
_cell_length_a                   9.538
_cell_length_b                   9.538
_cell_length_c                   24.66
_cell_volume                     1942.846
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Gautier_MRBUAC_1999_539.cif
_cod_data_source_block           Mo12Rb2Se14
_cod_database_code               1521051
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
Rb1 Rb+1 0 0 0.13102 1 0.0
Se1 Se-2 0.99977 0.3744 0.70363 1 0.0
Mo2 Mo+2 0.51312 0.16402 0.78901 1 0.0
Mo1 Mo+2 0.49668 0.3119 0.69533 1 0.0
Se3 Se-2 0 0 0.28089 1 0.0
Se2 Se-2 0.03631 0.33815 0.21391 1 0.0
