#------------------------------------------------------------------------------
#$Date: 2015-09-17 02:39:52 +0200 (jue 17 de sep de 2015) $
#$Revision: 156471 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/11/1531128.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_1531128
loop_
_publ_author_name
'Bououdina, M.'
'Pairis, S.'
'Lambert-Andron, B.'
'Fruchart, D.'
'Ouladdiaf, B.'
_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            'Ni0.906 Ti1.206 Zr0.882'
_chemical_name_systematic        '(Zr0.882 Ti0.118) (Ti1.088 Ni0.906)'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   5.1274
_cell_length_b                   5.1274
_cell_length_c                   8.5342
_cell_volume                     194.307
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Bououdina_JALCEU_2003_1450.cif
_cod_data_source_block           Ni0.906Ti1.206Zr0.882
_cod_original_cell_volume        194.3067
_cod_database_code               1531128
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
x,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
Ti3 Ti 0.8 0.6 0.25 0.54 0.0
Ti2 Ti 0 0 0 0.564 0.0
Ni1 Ni 0 0 0 0.432 0.0
Ti1 Ti 0.3333 0.6667 0.034 0.114 0.0
Ni2 Ni 0.8 0.6 0.25 0.46 0.0
Zr1 Zr 0.3333 0.6667 0.034 0.882 0.0
