#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/07/1520784.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_1520784
loop_
_publ_author_name
'Andersson, Y.'
'Rundqvist, S.'
'Nolang, B.'
'Larsson, T.'
_publ_section_title
;
 Neutron powder diffraction investigations of Nb3 (Al0.84 Nb0.16) and Nb3
 (Al0.84 Nb0.16) (2)H2.52
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              193
_journal_page_last               196
_journal_volume                  306
_journal_year                    2000
_chemical_formula_sum            'Al0.84 D2.52 Nb3.16'
_chemical_name_systematic        'Nb3 (Al0.84 Nb0.16) D2.52'
_space_group_IT_number           223
_symmetry_space_group_name_Hall  '-P 4n 2 3'
_symmetry_space_group_name_H-M   'P m -3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.3627
_cell_length_b                   5.3627
_cell_length_c                   5.3627
_cell_volume                     154.223
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Andersson_JALCEU_2000_1369.cif
_cod_data_source_block           D2.52Al0.84Nb3.16
_cod_original_cell_volume        154.2235
_cod_original_formula_sum        'D2.52 Al0.84 Nb3.16'
_cod_database_code               1520784
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+1/2
-x,-y,z
y+1/2,-x+1/2,z+1/2
x,-y,-z
y+1/2,x+1/2,-z+1/2
-x,y,-z
-y+1/2,-x+1/2,-z+1/2
z,x,y
-x+1/2,z+1/2,y+1/2
-z,-x,y
x+1/2,-z+1/2,y+1/2
z,-x,-y
x+1/2,z+1/2,-y+1/2
-z,x,-y
-x+1/2,-z+1/2,-y+1/2
y,z,x
y,-z,-x
z+1/2,y+1/2,-x+1/2
-y,z,-x
-z+1/2,-y+1/2,-x+1/2
-y,-z,x
z+1/2,-y+1/2,x+1/2
-z+1/2,y+1/2,x+1/2
-x,-y,-z
y-1/2,-x-1/2,-z-1/2
x,y,-z
-y-1/2,x-1/2,-z-1/2
-x,y,z
-y-1/2,-x-1/2,z-1/2
x,-y,z
y-1/2,x-1/2,z-1/2
-z,-x,-y
x-1/2,-z-1/2,-y-1/2
z,x,-y
-x-1/2,z-1/2,-y-1/2
-z,x,y
-x-1/2,-z-1/2,y-1/2
z,-x,y
x-1/2,z-1/2,y-1/2
-y,-z,-x
-y,z,x
-z-1/2,-y-1/2,x-1/2
y,-z,x
z-1/2,y-1/2,x-1/2
y,z,-x
-z-1/2,y-1/2,-x-1/2
z-1/2,-y-1/2,-x-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
D3 D 0 0.835 0.686 0.052 0.0
Nb1 Nb 0.25 0 0.5 1 0.0
Nb2 Nb 0 0 0 0.16 0.0
D1 D 0.25 0.5 0 0.533 0.0
Al1 Al 0 0 0 0.84 0.0
D2 D 0.191 0.191 0.191 0.037 0.0
