#------------------------------------------------------------------------------
#$Date: 2015-10-09 19:02:12 +0200 (Fri, 09 Oct 2015) $
#$Revision: 162585 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/52/1535288.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_1535288
loop_
_publ_author_name
'Blaschkowski, B.'
'Meyer, H.J.'
_publ_section_title
;
 X-ray single crystal refinement and superconductivity of La3 Ni2 B2 N3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              129
_journal_page_last               132
_journal_volume                  629
_journal_year                    2003
_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                   3.7295
_cell_length_b                   3.7295
_cell_length_c                   20.5625
_cell_volume                     286.007
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Blaschkowski_ZAACAB_2003_834.cif
_cod_data_source_block           B2La3N3Ni2
_cod_original_cell_volume        286.0073
_cod_database_code               1535288
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
La2 La 0.5 0.5 0.87054 1 0.0
Ni3 Ni 0 0.5 0.75 1 0.0
N2 N 0 0 0.1242 1 0.0
La1 La 0 0 0 1 0.0
N1 N 0.5 0.5 0 1 0.0
B1 B 0 0 0.1937 1 0.0
