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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/38/8103848.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_8103848
loop_
_publ_author_name
'Schilling, G.'
'Meyer, G.'
_publ_section_title
;
 Crystal structure of cesium dibarium pentabromide, Cs Ba2 Br5 and
 didysprosium(II) pentabromide, Li Dy2 Br5
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              255
_journal_page_last               256
_journal_volume                  211
_journal_year                    1996
_chemical_formula_sum            'Ba2 Br5 Cs'
_chemical_name_systematic        'Cs Ba2 Br5'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.198
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.987
_cell_length_b                   8.6653
_cell_length_c                   13.816
_cell_volume                     1195.634
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Schilling_ZEKRDZ_1996_1875.cif
_cod_data_source_block           Ba2Br5Cs1
_cod_original_formula_sum        'Ba2 Br5 Cs1'
_cod_database_code               8103848
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
Cs1 Cs+1 0.00975 0.05798 0.83417 1 0.0
Br2 Br-1 0.72621 0.3089 0.7802 1 0.0
Br1 Br-1 0.28495 0.9532 0.9981 1 0.0
Br4 Br-1 0.2871 0.3358 0.81197 1 0.0
Ba2 Ba+2 0.25102 0.56989 0.99158 1 0.0
Br5 Br-1 0.0386 0.1778 0.57818 1 0.0
Br3 Br-1 0.46006 0.1639 0.59694 1 0.0
Ba1 Ba+2 0.49948 0.02992 0.82381 1 0.0
