#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/16/1511616.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_1511616
loop_
_publ_author_name
'Zavalii, L.V.'
'Kuz'ma, Yu.B.'
_publ_section_title
;
 Crystal structure of boride LaNi12B6
;
_journal_name_full
'Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy'
_journal_page_first              2220
_journal_page_last               2222
_journal_volume                  26
_journal_year                    1990
_chemical_formula_sum            'B6 La Ni12'
_chemical_name_systematic        'La Ni12 B6'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.598
_cell_length_b                   7.414
_cell_length_c                   11.075
_cell_volume                     788.092
_citation_journal_id_ASTM        IVNMAW
_cod_data_source_file            boron4-x_269.cif
_cod_data_source_block           B6La1Ni12
_cod_original_cell_volume        788.0922
_cod_original_formula_sum        'B6 La1 Ni12'
_cod_database_code               1511616
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x,y,z
x,-y,z+1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,z
x+1/2,-y+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
Ni5 Ni 0.1919 0.0339 0.9317 1 0.0
B4 B 0.295 0.197 0.376 1 0.0
Ni3 Ni 0.1316 0.1733 0.2647 1 0.0
Ni2 Ni 0 0.7219 0.3993 1 0.0
Ni1 Ni 0 0.0676 0.0837 1 0.0
Ni7 Ni 0.133 0.1575 0.725 1 0.0
B2 B 0 0.986 0.34 1 0.0
Ni4 Ni 0.3678 0.0126 0.2455 1 0.0
Ni6 Ni 0.318 0.1872 0.5621 1 0.0
La1 La 0 0.6672 0 1 0.0
B1 B 0 0.667 0.667 1 0.0
B3 B 0.216 0.043 0.114 1 0.0
