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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/19/1521966.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_1521966
loop_
_publ_author_name
'Sorby, M.H.'
'Fjellvag, H.'
'Hauback, B.C.'
'Maeland, A.J.'
'Yartys', V.A.'
_publ_section_title
;
 Crystal structure of Th2 Al deuterides
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              154
_journal_page_last               164
_journal_volume                  309
_journal_year                    2000
_chemical_formula_sum            'Al D3.71 Th2'
_chemical_name_systematic        'Th2 Al D3.71'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.626
_cell_length_b                   7.626
_cell_length_c                   6.515
_cell_volume                     378.886
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Sorby_JALCEU_2000_1415.cif
_cod_data_source_block           D3.71Al1Th2
_cod_original_cell_volume        378.8855
_cod_original_formula_sum        'D3.71 Al1 Th2'
_cod_database_code               1521966
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z+1/2
y,x,-z+1/2
-x,y,-z+1/2
-y,-x,-z+1/2
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z-1/2
-y,-x,z-1/2
x,-y,z-1/2
y,x,z-1/2
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1
y+1/2,x+1/2,-z+1
-x+1/2,y+1/2,-z+1
-y+1/2,-x+1/2,-z+1
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z
-y+1/2,-x+1/2,z
x+1/2,-y+1/2,z
y+1/2,x+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
Al1 Al 0 0 0.25 1 0.0
Th1 Th 0.1656 0.6656 0 1 0.0
D1 D 0.3707 0.8707 0.1513 0.927 0.0
