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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/31/02/2310219.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2310219
loop_
_publ_author_name
'Kirkpatrick, M.E.'
'Bailey, D.M.'
'Smith, J.F.'
_publ_section_title
;
 The structures of Ni Zr2, Ni Zr and their hafnium analogs
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              252
_journal_page_last               255
_journal_volume                  15
_journal_year                    1962
_chemical_formula_sum            'Ni Zr'
_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                   3.268
_cell_length_b                   9.937
_cell_length_c                   4.101
_cell_volume                     133.176
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Kirkpatrick_ACCRA9_1962_1588.cif
_cod_data_source_block           Ni1Zr1
_cod_original_cell_volume        133.1763
_cod_original_formula_sum        'Ni1 Zr1'
_cod_database_code               2310219
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
Ni1 Ni 0 0.0817 0.25 1 0.0
Zr1 Zr 0 0.3609 0.25 1 0.0