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#$Date: 2015-10-09 15:30:50 +0300 (Fri, 09 Oct 2015) $
#$Revision: 161983 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/49/1534911.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_1534911
loop_
_publ_author_name
'Beck, J.'
'Schlueter, S.'
'Dolg, M.'
_publ_section_title
;
 (Bi4 Te4)(4+) - a cube-shaped, polycationic main group element cluster
;
_journal_name_full               'Angew. Chem. Int. ed.'
_journal_page_first              2287
_journal_page_last               2290
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'Al4 Bi4 Cl16 Te4'
_chemical_name_systematic        '(Bi4 Te4) (Al Cl4)4'
_space_group_IT_number           82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.2726
_cell_length_b                   12.2726
_cell_length_c                   11.4535
_cell_volume                     1725.088
_citation_journal_id_ASTM        ACIEF5
_cod_data_source_file            Beck_ACIEF5_2001_113.cif
_cod_data_source_block           Al4Bi4Cl16Te4
_cod_original_cell_volume        1725.089
_cod_database_code               1534911
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x+1/2,y+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-y+1/2,x+1/2,-z+1/2
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
Cl4 Cl-1 0.365 0.5776 0.232 1 0.0
Bi1 Bi+3 0.55723 0.16297 0.37424 1 0.0
Al1 Al+3 0.2996 0.4283 0.2888 1 0.0
Te1 Te-2 0.34293 0.05515 0.38905 1 0.0
Cl3 Cl-1 0.3878 0.3536 0.4291 1 0.0
Cl2 Cl-1 0.2963 0.3167 0.1455 1 0.0
Cl1 Cl-1 0.1388 0.4523 0.361 1 0.0
