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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/1/53/11/1531168.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_1531168
loop_
_publ_author_name
'Brinks, H.W.'
'Hauback, B.C.'
_publ_section_title
;
 The structure of Li3 Al D6
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              143
_journal_page_last               147
_journal_volume                  354
_journal_year                    2003
_chemical_formula_sum            'Al D6 Li3'
_chemical_name_systematic        'Li3 Al D6'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   8.07117
_cell_length_b                   8.07117
_cell_length_c                   9.513
_cell_volume                     536.687
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Brinks_JALCEU_2003_1398.cif
_cod_data_source_block           D6Al1Li3
_cod_original_formula_sum        'D6 Al1 Li3'
_cod_database_code               1531168
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
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
Al2 Al+3 0 0 0.5 1 0.0
D1 D-1 0.8333 0.8057 0.1007 1 0.0
Li1 Li+1 0.9576 0.226 0.2911 1 0.0
D2 D-1 0.1582 0.182 0.39 1 0.0
Al1 Al+3 0 0 0 1 0.0
