#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/79/1537949.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_1537949
loop_
_publ_author_name
'Burkhardt, W.'
'Schubert, K.'
_publ_section_title
;
 Ueber messingartige Phasen mit A3-verwandter Struktur
;
_journal_name_full               'Zeitschrift fuer Metallkunde'
_journal_page_first              442
_journal_page_last               452
_journal_volume                  50
_journal_year                    1959
_chemical_formula_sum            'Nb Ni3'
_space_group_IT_number           59
_symmetry_space_group_name_Hall  'P 2 2ab -1ab'
_symmetry_space_group_name_H-M   'P m m n :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.116
_cell_length_b                   4.26
_cell_length_c                   4.565
_cell_volume                     99.490
_citation_journal_id_ASTM        ZEMTAE
_cod_data_source_file            Burkhardt_ZEMTAE_1959_819.cif
_cod_data_source_block           Nb1Ni3
_cod_original_cell_volume        99.49035
_cod_original_sg_symbol_Hall     '-P 2ab 2a (x-1/4,y-1/4,z)'
_cod_original_formula_sum        'Nb1 Ni3'
_cod_database_code               1537949
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z
-x,y,z
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
Ni2 Ni 0.25 0 0.833 1 0.0
Nb1 Nb 0 0 0.33 1 0.0
Ni1 Ni 0 0.5 0.67 1 0.0
