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#$Date: 2015-10-10 04:27:38 +0200 (Sat 10 de Oct de 2015) $
#$Revision: 164446 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/41/8104138.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_8104138
loop_
_publ_author_name
'Womelsdorf, H.'
'Meyer, H.J.'
_publ_section_title
;
 Crystal structure of tetrathallium hexabromo-dodeca-mue-bromohexaniobate,
 Tl4 (Nb6 Br18)
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              608
_journal_page_last               608
_journal_volume                  210
_journal_year                    1995
_chemical_formula_sum            'Br18 Nb6 Tl4'
_chemical_name_systematic        'Tl4 (Br12 (Nb Br)6)'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.68
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.14
_cell_length_b                   16.25
_cell_length_c                   10.067
_cell_volume                     1613.818
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Womelsdorf_ZEKRDZ_1995_1824.cif
_cod_data_source_block           Br18Nb6Tl4
_cod_database_code               8104138
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
Br1 Br-1 0.3248 0 0.3403 1 0.0
Nb1 Nb+2 0.1028 0 0.8696 1 0.0
Br4 Br-1 0.30676 0.2142 0.3246 1 0.0
Tl1 Tl+1 0.401 0.15359 0.6644 1 0.0
Br3 Br-1 -0.03552 -0.11103 0.6724 1 0.0
Nb2 Nb+2 0.13194 0.09114 0.13973 1 0.0
Br2 Br-1 0 0.22194 0 1 0.0
Br5 Br-1 0.28355 0.11208 0.0101 1 0.0
Br6 Br-1 0.2412 0 0.7013 1 0.0
