#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/83/1008362.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_1008362
_chemical_name_systematic
;
Lanthanum nickel deuteride (1/5/.4) - alpha phase
;
_chemical_formula_structural       'La Ni5 D.4'
_chemical_formula_sum            'D0.4 La Ni5'
_[local]_cod_chemical_formula_sum_orig 'D.4 La Ni5'
_publ_section_title
;
Localization of hydrogen (deuterium) in $-alpha La Ni~5~ H~x~ (x=0.1
and 0.4)
;
loop_
_publ_author_name
  'Soubeyroux, J L'
  'Percheron-Guegan, A'
  'Achard, J C'
_journal_name_full                 'Journal of the Less-Common Metals'
_journal_coden_ASTM                JCOMAH
_journal_volume                    129
_journal_year                      1987
_journal_page_first                181
_journal_page_last                 186
_cell_length_a                     5.025(3)
_cell_length_b                     5.025(3)
_cell_length_c                     3.991(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       87.3
_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
  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. 1.  0 d
  Ni2   Ni0    3 g 0.5 0. 0.5 1.  0 d
  D1    D0    12 n 0.455 0. 0.117 0.03  0 d
_refine_ls_R_factor_all            0.086
_cod_database_code 1008362