#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:39:23 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179417 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/14/4331456.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_4331456
loop_
_publ_author_name
'Filinchuk, Ya.E.'
'Yvon, K.'
_publ_section_title
;
 Boron-induced hydrogen localization in the novel metal hydride La Ni3 B
 H(x) (x=2.5-3.0)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4398
_journal_page_last               4406
_journal_paper_doi               10.1021/ic050416j
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'B4 La2 Ni5'
_chemical_name_systematic        'La2 Ni5 B4'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 137.196
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.7745
_cell_length_b                   5.379
_cell_length_c                   8.256
_cell_volume                     294.951
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            boron4-x_95.cif
_cod_data_source_block           B4La2Ni5
_cod_original_cell_volume        294.9514
_cod_database_code               4331456
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
Ni1 Ni 0.216 0.25 0.138 1 0.0
La1 La 0.0833 0 0.3351 1 0.0
B1 B 0.381 0 0.159 1 0.0
B2 B 0.459 0 0.861 1 0.0
Ni2 Ni 0.5 0 0.5 1 0.0
