#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/14/1531454.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_1531454
loop_
_publ_author_name
'Guenee, L.'
'Yvon, K.'
_publ_section_title
;
 Synthesis, crystal structure and hydrogenation properties of the novel
 metal compound La Ni2 Mn3
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              176
_journal_page_last               183
_journal_volume                  348
_journal_year                    2003
_chemical_formula_sum            'D5.57 La Mn3 Ni2'
_chemical_name_systematic        'La Ni2 Mn3 D5.57'
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   9.8379
_cell_length_b                   9.8379
_cell_length_c                   4.3038
_cell_volume                     360.734
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Guenee_JALCEU_2003_1269.cif
_cod_data_source_block           D5.57La1Mn3Ni2
_cod_original_cell_volume        360.7344
_cod_original_formula_sum        'D5.57 La1 Mn3 Ni2'
_cod_database_code               1531454
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z
-y,x-y,z
-x,-y,z
-x+y,-x,z
y,-x+y,z
-y,-x,-z
x-y,-y,-z
x,x-y,-z
y,x,-z
-x+y,y,-z
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z
y,-x+y,-z
x,y,-z
x-y,x,-z
-y,x-y,-z
y,x,z
-x+y,y,z
-x,-x+y,z
-y,-x,z
x-y,-y,z
x,x-y,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
La1 La 0 0 0 1 0.0
La2 La 0.3333 0.6667 0.5 1 0.0
Mn1 Mn 0.2856 0 0.5 1 0.0
D4 D 0.7981 0.5962 0.643 0.246 0.0
Ni1 Ni 0.1847 0.3694 0 1 0.0
D2 D 0.5 0 0.5 1 0.0
D3 D 0.7458 0 0 0.68 0.0
Mn2 Mn 0.5 0 0 1 0.0
D5 D 0.4596 0.6675 0 0.413 0.0
D1 D 0.068 0.136 0.5 0.288 0.0
