#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/71/2107147.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_2107147
loop_
_publ_author_name
'Rytter, E.D.'
'Krogh-Moe, J.'
'Oye, H.A.'
_publ_section_title
;
 Potassium heptabromodialuminate, K Al2 Br7
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1541
_journal_page_last               1543
_journal_volume                  29
_journal_year                    1973
_chemical_formula_sum            'Al2 Br7 K'
_chemical_name_systematic        'K (Al2 Br7)'
_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                 133.87
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.373
_cell_length_b                   10.822
_cell_length_c                   14.444
_cell_volume                     1394.291
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Rytter_ACBCAR_1973_1013.cif
_cod_data_source_block           Al2Br7K1
_cod_original_formula_sum        'Al2 Br7 K1'
_cod_database_code               2107147
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
Br5 Br-1 0.1546 0.1308 0.1005 1 0.0
Br6 Br-1 0.2091 0.213 0.3847 1 0.0
Al1 Al+3 0.5958 0.2897 0.3951 1 0.0
Br1 Br-1 0.5641 0.1042 0.444 1 0.0
Br3 Br-1 0.6176 0.2747 0.2495 1 0.0
Br7 Br-1 0.9778 0.421 0.0971 1 0.0
Br2 Br-1 0.7842 0.3986 0.5779 1 0.0
Br4 Br-1 0.382 0.4156 0.2912 1 0.0
K1 K+1 0.883 0.3796 0.2696 1 0.0
Al2 Al+3 0.1738 0.2882 0.2191 1 0.0
