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#$Date: 2015-10-10 06:48:21 +0200 (Sat, 10 Oct 2015) $
#$Revision: 165029 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/70/1537053.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_1537053
loop_
_publ_author_name
'Zheng, Y.-Q.'
'Peters, K.'
'Grin', Yu.'
'von Schnering, H.G.'
_publ_section_title
;
 Syntheses and crystal structures of the cluster compounds A2 ((W6 Br8)
 Br6) with A =K, Rb, Cs
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              506
_journal_page_last               512
_journal_volume                  624
_journal_year                    1998
_chemical_formula_sum            'Br14 Rb2 W6'
_chemical_name_systematic        'Rb2 (Br8 (W Br)6)'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.691
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.301
_cell_length_b                   15.396
_cell_length_c                   9.72
_cell_volume                     2737.703
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Zheng_ZAACAB_1998_733.cif
_cod_data_source_block           Br14Rb2W6
_cod_database_code               1537053
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-y+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
W2 W+2 0.20968 0.27803 0.1343 1 0.0
Rb1 Rb+1 0 0.432 0.75 1 0.0
Br4 Br-1 0.3398 0.3199 0.3424 1 0.0
Br3 Br-1 0.1876 0.4374 0.0296 1 0.0
Br6 Br-1 0.1549 0.3165 0.3226 1 0.0
Br5 Br-1 0.3805 0.4951 0.1309 1 0.0
Br7 Br-1 0.4319 0.1071 0.3711 1 0.0
Br1 Br-1 0.4198 0.2655 0.0737 1 0.0
W1 W+2 0.30447 0.35172 0.0535 1 0.0
Br2 Br-1 0.2314 0.1188 0.2356 1 0.0
W3 W+2 0.32598 0.19106 0.1561 1 0.0
Rb2 Rb+1 0 0 0 1 0.0
