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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/67/2106783.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106783
loop_
_publ_author_name
'Lazarini, F.'
_publ_section_title
;
 Potassium and ammonium decabromodibismuthate(III) tetrahydrate
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1954
_journal_page_last               1956
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'Bi2 Br10 H8 K4 O4'
_chemical_name_systematic        'K4 (Bi2 Br10) (H2 O)4'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.794
_cell_length_b                   22.737
_cell_length_c                   12.86
_cell_volume                     2571.346
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Lazarini_ACBCAR_1977_113.cif
_cod_data_source_block           H8Bi2Br10K4O4
_cod_original_formula_sum        'H8 Bi2 Br10 K4 O4'
_cod_database_code               2106783
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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
Br2 Br-1 0.5872 0.07002 0.44401 1 0.0
K3 K+1 0.4783 0.04471 0.19813 1 0.0
Br5 Br-1 0.17145 0.25 0.57429 1 0.0
Br6 Br-1 0.56489 0.25 0.43595 1 0.0
Br3 Br-1 0.24438 0.15406 0.29599 1 0.0
K2 K+1 0.2877 0.25 0.83662 1 0.0
Bi1 Bi+3 0.36912 0.15 0.50287 1 0.0
Br1 Br-1 0.14941 0.06501 0.54442 1 0.0
K1 K+1 0.4504 0.25 0.15338 1 0.0
Br4 Br-1 0.49343 0.14776 0.70401 1 0.0
O1 O-2 0.3727 0.1678 -0.0067 1 0.0
O2 O-2 0.247 0.018 0.808 1 0.0
