#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/11/1531134.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_1531134
loop_
_publ_author_name
'Bououdina, M.'
'Lambert-Andron, B.'
'Ouladdiaf, B.'
'Pairis, S.'
'Fruchart, D.'
_publ_section_title
;
 Structural investigation by neutron diffraction of equi-atomic Zr - Ti(V)
 - Ni(Co) compounds and their related hydrides
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              54
_journal_page_last               58
_journal_volume                  356
_journal_year                    2003
_chemical_formula_sum            'D2.52 Ni Zr'
_chemical_name_systematic        'Zr Ni D2.52'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.5263
_cell_length_b                   10.4839
_cell_length_c                   4.3083
_cell_volume                     159.275
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Bououdina_JALCEU_2003_1453.cif
_cod_data_source_block           D2.52Ni1Zr1
_cod_original_cell_volume        159.2752
_cod_original_formula_sum        'D2.52 Ni1 Zr1'
_cod_database_code               1531134
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x+1/2,-y+1/2,z-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
Zr1 Zr 0 0.434 0.25 1 0.0
D2 D 0 0.305 0.526 0.966 0.0
D1 D 0 0.954 0 0.293 0.0
Ni1 Ni 0 0.137 0.25 1 0.0
