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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/12/1511257.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_1511257
loop_
_publ_author_name
'Potel, M.'
'Godart, C.'
'Salamakha, P.'
'Noel, H.'
'Mazumdar, C.'
'Sologub, O.L.'
'Alleno, E.'
_publ_section_title
;
 Nd Ni4 B, new structure type of the ternary intermetallic borides
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              190
_journal_page_last               195
_journal_paper_doi               10.1016/S0925-8388(02)01086-1
_journal_volume                  351
_journal_year                    2003
_chemical_formula_sum            'B Nd Ni4'
_chemical_name_systematic        'Nd Ni4 B'
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   5.057
_cell_length_b                   6.98
_cell_length_c                   26.271
_cell_volume                     927.310
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            boron0-1_378.cif
_cod_data_source_block           B1Nd1Ni4
_cod_original_cell_volume        927.3101
_cod_original_formula_sum        'B1 Nd1 Ni4'
_cod_database_code               1511257
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y+1/2,z
x,-y,-z
-x,y+1/2,-z
-x,-y,-z
x,y-1/2,-z
-x,y,z
x,-y-1/2,z
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1,z+1/2
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1,-z+1/2
-x+1/2,-y+1/2,-z+1/2
x+1/2,y,-z+1/2
-x+1/2,y+1/2,z+1/2
x+1/2,-y,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
Ni5 Ni 0 0.25 0.72158 1 0.0
Nd2 Nd 0 0.25 0.50745 1 0.0
Ni6 Ni 0 0.25 0.93634 1 0.0
Ni3 Ni 0.25 0.04299 0.25 1 0.0
B2 B 0 0.25 0.27874 1 0.0
B1 B 0 0.25 0.04803 1 0.0
Nd3 Nd 0 0.25 0.83126 1 0.0
Nd1 Nd 0 0.25 0.16541 1 0.0
Ni7 Ni 0 0 0 1 0.0
B3 B 0 0.25 0.38945 1 0.0
Ni1 Ni 0.25041 0.04919 0.0816 1 0.0
Ni4 Ni 0 0.25 0.61361 1 0.0
Ni2 Ni 0 0.04637 0.33354 1 0.0
