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#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/07/1510743.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_1510743
loop_
_publ_author_name
'Jansen, J.'
'Peck, W.F.jr.'
'Krajewski, J.J.'
'Zandbergen, H.W.'
'Cava, R.J.'
_publ_section_title
;
 Structure of the 13 K superconductor La3 Ni2 B2 N3 and the related phase
 La Ni B N
;
_journal_name_full               'Nature (London)'
_journal_page_first              759
_journal_page_last               761
_journal_paper_doi               10.1038/372759a0
_journal_volume                  372
_journal_year                    1994
_chemical_formula_sum            'B2 La3 N3 Ni2'
_chemical_name_systematic        'La3 Ni2 B2 N3'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.73
_cell_length_b                   3.73
_cell_length_c                   20.67
_cell_volume                     287.580
_citation_journal_id_ASTM        NATUAS
_cod_data_source_file            boron_232.cif
_cod_data_source_block           B2La3N3Ni2
_cod_original_cell_volume        287.5797
_cod_database_code               1510743
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+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+2 0.5 0 0.25 1 0.0
La2 La+3 0.5 0.5 0.128 1 0.0
N2 N-3 0 0 0.133 1 0.0
N1 N-3 0.5 0.5 0 1 0.0
La1 La+3 0 0 0 1 0.0
B1 B-2 0 0 0.221 1 0.0
