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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/74/1537440.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_1537440
loop_
_publ_author_name
'Hubbard, C.R.'
'Jacobson, R.A.'
_publ_section_title
;
 The crystal structure of Rb4 Sb(III) Sb(V) Br12
;
_journal_name_full               'Proceedings of the Iowa Academy of Science'
_journal_page_first              85
_journal_page_last               96
_journal_volume                  75
_journal_year                    1968
_chemical_formula_sum            'Br12 Rb4 Sb2'
_chemical_name_systematic        'Rb4 (Sb Br6)2'
_space_group_IT_number           141
_symmetry_space_group_name_Hall  'I 4bw 2bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a m d :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.706
_cell_length_b                   10.706
_cell_length_c                   21.695
_cell_volume                     2486.647
_citation_journal_id_ASTM        PIAIA9
_cod_data_source_file            Hubbard_PIAIA9_1968_1060.cif
_cod_data_source_block           Br12Rb4Sb2
_cod_original_sg_symbol_Hall     '-I 4bd 2 (x+1/2,y+1/4,z+1/8)'
_cod_database_code               1537440
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x+1/2,z+1/4
-x+1/2,-y+1/2,z+1/2
y+1/2,-x,z+3/4
x,-y+1/2,-z+1/4
y+1/2,x+1/2,-z+1/2
-x+1/2,y,-z+3/4
-y,-x,-z
-x,-y+1/2,-z+1/4
y,-x,-z
x-1/2,y,-z-1/4
-y-1/2,x+1/2,-z-1/2
-x,y,z
-y-1/2,-x,z-1/4
x-1/2,-y+1/2,z-1/2
y,x+1/2,z+1/4
x+1/2,y+1/2,z+1/2
-y+1/2,x+1,z+3/4
-x+1,-y+1,z+1
y+1,-x+1/2,z+5/4
x+1/2,-y+1,-z+3/4
y+1,x+1,-z+1
-x+1,y+1/2,-z+5/4
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1,-z+3/4
y+1/2,-x+1/2,-z+1/2
x,y+1/2,-z+1/4
-y,x+1,-z
-x+1/2,y+1/2,z+1/2
-y,-x+1/2,z+1/4
x,-y+1,z
y+1/2,x+1,z+3/4
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
Sb1 Sb+5 0 0.5 0.25 1 0.0
Sb2 Sb+3 0 0 0.5 1 0.0
Br3 Br-1 0 0.5 0.37013 1 0.0
Br4 Br-1 0 0 0.37502 1 0.0
Br1 Br-1 0 0.26477 0.2526 1 0.0
Br2 Br-1 0 0.2597 0.49731 1 0.0
Rb1 Rb+1 0.25 0.22294 0.375 1 0.0
