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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/1/53/09/1530997.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_1530997
loop_
_publ_author_name
'Westlake, D.G.'
'Shaked, H.'
'McCart, B.R.'
'Amano, M.'
'Mason, P.R.'
'Mueller, M.H.'
'Matsumoto, T.'
_publ_section_title
;
 Interstitial site occupation in Zr Ni H
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              17
_journal_page_last               23
_journal_volume                  88
_journal_year                    1982
_chemical_formula_sum            'D Ni Zr'
_chemical_name_systematic        'Zr Ni D'
_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                   3.367
_cell_length_b                   10.313
_cell_length_c                   4.063
_cell_volume                     141.083
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Westlake_JCOMAH_1982_949.cif
_cod_data_source_block           D1Ni1Zr1
_cod_original_cell_volume        141.0831
_cod_original_formula_sum        'D1 Ni1 Zr1'
_cod_database_code               1530997
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
D1 D 0 0.2152 0.25 1 0.0
Ni1 Ni 0 -0.429 0.25 1 0.0
Zr1 Zr 0 -0.14 0.25 1 0.0
