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#$Date: 2015-09-28 14:51:30 +0100 (Mon, 28 Sep 2015) $
#$Revision: 158792 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/28/1532805.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_1532805
loop_
_publ_author_name
'Burkhardt, U.'
'Grin', Yu.'
'Haarmann, F.'
'Borrmann, H.'
'Gurin, V.'
'Schnelle, W.'
'Yaresko, A.'
_publ_section_title
;
 On the electronic and structural properties of aluminium diboride Al0.9
 B2
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              389
_journal_page_last               394
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'Al0.9 B2'
_chemical_name_systematic        'Al0.9 B2'
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.005
_cell_length_b                   3.005
_cell_length_c                   3.2537
_cell_volume                     25.445
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Burkhardt_JSSCBI_2004_1839.cif
_cod_data_source_block           Al0.9B2
_cod_original_cell_volume        25.44469
_cod_database_code               1532805
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z
-y,x-y,z
-x,-y,z
-x+y,-x,z
y,-x+y,z
-y,-x,-z
x-y,-y,-z
x,x-y,-z
y,x,-z
-x+y,y,-z
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z
y,-x+y,-z
x,y,-z
x-y,x,-z
-y,x-y,-z
y,x,z
-x+y,y,z
-x,-x+y,z
-y,-x,z
x-y,-y,z
x,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
Al1 Al 0 0 0 0.91 0.0
B1 B 0.3333 0.6667 0.5 1 0.0