data_1006078
_chemical_name_systematic
;
Lanthanum nickel manganese aluminium cobalt deuteride
(1/3.6/0.4/0.3/0.8/5.6)
;
_chemical_formula_structural
;
La (Ni1.736 Mn0.073 Co0.188) (Ni1.812 Mn0.327 Al0.3 Co0.561) D5.56
;
_chemical_formula_sum              'D5.56 Al.3 Co.749 La Mn.4 Ni3.548'
_publ_section_title
;
Structural studies of La Ni4 Co D6.11 and La Ni3.55 Mn0.4 Al0.3 Co0.75
D5.57 by means of neutron powder diffraction
;
loop_
_publ_author_name
  'Latroche, M'
  'Rodriguez-Carvajal, J'
  'Percheron-Guegan, A'
  'Bouree-Vigneron, F'
_journal_name_full                 'Journal of Alloys Compd.'
_journal_coden_ASTM                JALCEU
_journal_volume                    218
_journal_year                      1995
_journal_page_first                64
_journal_page_last                 72
_cell_length_a                     5.383(1)
_cell_length_b                     5.383(1)
_cell_length_c                     4.277(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       107.3
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P 6/m m m'
_symmetry_Int_Tables_number        191
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  'y,x,z'
  'x-y,-y,z'
  '-x,y-x,z'
  '-x,-y,z'
  'y,y-x,z'
  'x-y,x,z'
  '-y,-x,z'
  'y-x,y,z'
  'x,x-y,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  '-y,-x,-z'
  'y-x,y,-z'
  'x,x-y,-z'
  'x,y,-z'
  '-y,x-y,-z'
  'y-x,-x,-z'
  'y,x,-z'
  'x-y,-y,-z'
  '-x,y-x,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  La0    0.000
  Ni0    0.000
  Mn0    0.000
  Co0    0.000
  Al0    0.000
  D0     0.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  La1   La0    1 a 0. 0. 0. 1.  0 d
  Ni1   Ni0    2 c 0.3333 0.6667 0. 0.868(3)  0 d
  Mn1   Mn0    2 c 0.3333 0.6667 0. 0.0365(75)  0 d
  Co1   Co0    2 c 0.3333 0.6667 0. 0.094(12)  0 d
  Ni2   Ni0    3 g 0.5 0. 0.5 0.604(2)  0 d
  Mn2   Mn0    3 g 0.5 0. 0.5 0.109(5)  0 d
  Al1   Al0    3 g 0.5 0. 0.5 0.100(13)  0 d
  Co2   Co0    3 g 0.5 0. 0.5 0.187(8)  0 d
  D1    D0     4 h 0.3333 0.6667 0.3759(64) 0.0567(37)  0 d
  D2    D0     6 m 0.1362(9) 0.2724(18) 0.5 0.3263(51)  0 d
  D3    D0    12 o 0.2234(35) 0.4468(70) 0.3169(53) 0.0593(27)  0 d
  D4    D0    12 n 0.4642(14) 0. 0.1004(8) 0.2216(25)  0 d
_refine_ls_R_factor_all            0.037