#------------------------------------------------------------------------------
#$Date: 2015-10-13 15:35:51 +0200 (Tue 13 de Oct de 2015) $
#$Revision: 167175 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/43/4344345.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_4344345
loop_
_publ_author_name
'Saillant, R.'
'Jackson, R.B.'
'Streib, W.E.'
'Folting, K.'
'Wentworth, R.A.D.'
_publ_section_title
;
 The Crystal Structures of Cs3 Cr2 Br9, Cs3 Mo2 Cl9 and Cs3 Mo2 Br9
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1453
_journal_page_last               1457
_journal_volume                  10
_journal_year                    1971
_chemical_formula_sum            'Br9 Cr2 Cs3'
_chemical_name_systematic        'Cs3 Cr2 Br9'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   7.507
_cell_length_b                   7.507
_cell_length_c                   18.68
_cell_volume                     911.676
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Saillant_INOCAJ_1971_1155.cif
_cod_data_source_block           Br9Cr2Cs3
_cod_original_cell_volume        911.6756
_cod_database_code               4344345
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
x,x-y,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
Cs1 Cs+1 0 0 0.25 1 0.0
Br1 Br-1 0.8233 0.6465 0.0915 1 0.0
Br2 Br-1 0.5149 0.0298 0.25 1 0.0
Cs2 Cs+1 0.3333 0.6667 0.0756 1 0.0
Cr1 Cr+3 0.3333 0.6667 0.8388 1 0.0
