#------------------------------------------------------------------------------
#$Date: 2024-01-31 14:42:37 +0100 (Wed 31 de Jan de 2024) $
#$Revision: 289237 $
#$URL: svn://www.crystallography.net/cod/cif/3/00/01/3000166.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_3000166
loop_
_publ_author_name
'Hassen Jaafar'
'Luc Aymard'
'Walid Dachraoui'
'Arnaud Demortiere'
'Mohieddine Abdellaoui'
_publ_section_title
;
 Preparation and characterization of mechanically alloyed AB3-type based
 material LaMg2Ni5Al4 and its solid-gaz hydrogen storage reaction
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              73
_journal_page_last               79
_journal_paper_doi               10.1016/j.jssc.2018.01.015
_journal_volume                  260
_journal_year                    2018
_chemical_formula_sum            'Al4 La Mg2 Ni5'
_chemical_formula_weight         589.01
_chemical_name_common            'La Mg2 Ni5 Al4'
_space_group_IT_number           166
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.83198
_cell_length_b                   4.83198
_cell_length_c                   24.15069
_cell_volume                     488.327
_exptl_crystal_density_diffrn    5.58
_exptl_crystal_density_method
'Direct measurement of fine powder using 1cm3 Micromeritics AccuPyc II 1340 Helium Pycnometer'
_cod_data_source_file            LaMg2Ni5Al4.cif
_cod_data_source_block           LaMg2Ni5Al4
_cod_depositor_comments
;Releasing structure 3000166 into public domain as published material.

 SOF entry verification
;
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'La Mg2 Ni5 Al4'
_cod_database_code               3000166
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-y, x-y, z'
'y, -x+y, -z'
'-x+y, -x, z'
'x-y, x, -z'
'y, x, -z'
'-y, -x, z'
'x-y, -y, -z'
'-x+y, y, z'
'-x, -x+y, -z'
'x, x-y, z'
'x+2/3, y+1/3, z+1/3'
'-x+2/3, -y+1/3, -z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z+1/3'
'x-y+2/3, -y+1/3, -z+1/3'
'-x+y+2/3, y+1/3, z+1/3'
'-x+2/3, -x+y+1/3, -z+1/3'
'x+2/3, x-y+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-x+1/3, -y+2/3, -z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+2/3'
'x-y+1/3, -y+2/3, -z+2/3'
'-x+y+1/3, y+2/3, z+2/3'
'-x+1/3, -x+y+2/3, -z+2/3'
'x+1/3, x-y+2/3, z+2/3'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
La1 1.0000 0.000000 0.000000 0.000000 Biso 1.252000 La
Mg1 1.0000 0.000000 0.000000 0.146000 Biso 1.252000 Mg
Ni1 0.5555 0.000000 0.000000 0.500000 Biso 1.252000 Ni
Ni2 0.5555 0.000000 0.000000 0.333000 Biso 1.252000 Ni
Ni3 0.5555 0.501500 0.498500 0.085700 Biso 1.252000 Ni
Al1 0.4444 0.000000 0.000000 0.500000 Biso 1.252000 Al
Al2 0.4444 0.000000 0.000000 0.333000 Biso 1.252000 Al
Al3 0.4444 0.501500 0.498500 0.085700 Biso 1.252000 Al
