#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/92/1539222.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_1539222
loop_
_publ_author_name
'Virkar, A.V.'
'Raman, A.'
_publ_section_title
;
 Crystal structures of AB3 and A2B7 rare earth-nickel phases
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              59
_journal_page_last               66
_journal_volume                  18
_journal_year                    1969
_chemical_formula_sum            'Nd Ni5'
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   4.926
_cell_length_b                   4.926
_cell_length_c                   3.957
_cell_volume                     83.154
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Virkar_JCOMAH_1969_876.cif
_cod_data_source_block           Nd1Ni5
_cod_original_cell_volume        83.15446
_cod_original_formula_sum        'Nd1 Ni5'
_cod_database_code               1539222
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z
-y,x-y,z
-x,-y,z
-x+y,-x,z
y,-x+y,z
-y,-x,-z
x-y,-y,-z
x,x-y,-z
y,x,-z
-x+y,y,-z
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z
y,-x+y,-z
x,y,-z
x-y,x,-z
-y,x-y,-z
y,x,z
-x+y,y,z
-x,-x+y,z
-y,-x,z
x-y,-y,z
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
Nd1 Nd 0 0 0 1 0.0
Ni2 Ni 0.5 0 0.5 1 0.0
Ni1 Ni 0.3333 0.6667 0 1 0.0
