#------------------------------------------------------------------------------
#$Date: 2016-02-13 13:50:18 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/02/2310278.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_2310278
loop_
_publ_author_name
'Cowley, J.M.'
_publ_section_title
;
 Structure analysis of single crystals by electron diffraction. III.
 Modification of alumina
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              846
_journal_page_last               853
_journal_volume                  6
_journal_year                    1953
_chemical_formula_sum            'Al4.666 Ni1.4 O6'
_chemical_name_systematic        'Ni1.4 Al4.67 O8.7'
_space_group_IT_number           51
_symmetry_space_group_name_Hall  '-P 2 2b'
_symmetry_space_group_name_H-M   'P b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   7.63
_cell_length_b                   7.63
_cell_length_c                   2.89
_cell_volume                     168.247
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Cowley_ACCRA9_1953_33.cif
_cod_data_source_block           Al4.666Ni1.4O6
_cod_original_cell_volume        168.2469
_cod_original_sg_symbol_Hall     '-P 2a 2a (z,x,y)'
_cod_database_code               2310278
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y+1/2,-z
-x,y+1/2,-z
-x,-y,z
-x,-y,-z
-x,y-1/2,z
x,-y-1/2,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
Ni3 Ni+2 0.03 0.19 0.5 0.1 0.0
Al1 Al+3 0.505 0.07 0.5 0.5 0.0
O2 O-2 0.7 0.075 0.5 1 0.0
Al2 Al+3 0.19 0.06 0 0.5 0.0
Ni1 Ni+2 0 0.25 0.5 0.25 0.0
O1 O-2 0.405 0.25 0 1 0.0
Al3 Al+3 0.69 0.25 0 0.333 0.0
Ni2 Ni+2 0.1 0.25 0.5 0.25 0.0
