#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/43/1534321.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_1534321
loop_
_publ_author_name
'Broll, A.'
'Simon, A.'
'Schaefer, H.'
'von Schnering, H.G.'
_publ_section_title
;
 Beitraege zur Chemie der Elemente Niob und Tantal. LXXIII. Cs Nb4 Cl11,
 Cs Nb4 Br11 und Rb Nb4 Cl11 Verbindungen mit planaren Nb4-Gruppen
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1
_journal_page_last               18
_journal_volume                  367
_journal_year                    1969
_chemical_formula_sum            'Br11 Cs Nb4'
_chemical_name_systematic        'Cs Nb4 Br11'
_space_group_IT_number           51
_symmetry_space_group_name_Hall  '-P 2a 2a'
_symmetry_space_group_name_H-M   'P m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.04
_cell_length_b                   7.31
_cell_length_c                   7.01
_cell_volume                     873.182
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Broll_ZAACAB_1969_1075.cif
_cod_data_source_block           Br11Cs1Nb4
_cod_original_cell_volume        873.1825
_cod_original_formula_sum        'Br11 Cs1 Nb4'
_cod_database_code               1534321
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z
x+1/2,-y,-z
-x,y,-z
-x,-y,-z
x-1/2,y,-z
-x-1/2,y,z
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
Br5 Br-1 0.25 0 0.5862 1 0.0
Nb1 Nb+2 0 0.2086 0 1 0.0
Br4 Br-1 0.25 0.2337 0.0122 1 0.0
Br3 Br-1 0.0854 0.5 0.1391 1 0.0
Nb2 Nb+2 0.1408 0 0.8807 1 0.0
Br2 Br-1 0.0866 0 0.2248 1 0.0
Br1 Br-1 0.924 0.2514 0.3228 1 0.0
Cs1 Cs+1 0.25 0.5 0.4897 1 0.0
