#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008798.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_1008798
_chemical_name_systematic
;
Holmium iron titanium deuteride (1/11.28/0.72/0.7)
;
_chemical_formula_structural       'Ho Fe11.28 Ti0.72 D0.7'
_chemical_formula_sum              'D.7 Fe11.28 Ho Ti.72'
_publ_section_title
;
Neutron diffraction study of Ho Fe11 Ti Dx deuterides
;
loop_
_publ_author_name
  'Apostolov, A'
  'Bezdushnyi, R'
  'Stanev, N'
  'Damianova, R'
  'Fruchart, D'
  'Isnard, O'
  'Soubeyroux, J L'
_journal_name_full                 'Journal of Alloys Compd.'
_journal_coden_ASTM                JALCEU
_journal_volume                    253
_journal_year                      1997
_journal_page_first                318
_journal_page_last                 321
_cell_length_a                     8.5
_cell_length_b                     8.5
_cell_length_c                     4.777
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       345.1
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'I 4/m m m'
_symmetry_Int_Tables_number        139
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '-x,y,z'
  'x,-y,z'
  '-y,x,z'
  'y,-x,z'
  'y,x,z'
  '-y,-x,z'
  '-x,-y,-z'
  'x,y,-z'
  'x,-y,-z'
  '-x,y,-z'
  'y,-x,-z'
  '-y,x,-z'
  '-y,-x,-z'
  'y,x,-z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-y,1/2+x,1/2+z'
  '1/2+y,1/2-x,1/2+z'
  '1/2+y,1/2+x,1/2+z'
  '1/2-y,1/2-x,1/2+z'
  '1/2-x,1/2-y,1/2-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2+x,1/2-y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '1/2+y,1/2-x,1/2-z'
  '1/2-y,1/2+x,1/2-z'
  '1/2-y,1/2-x,1/2-z'
  '1/2+y,1/2+x,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ho0    0.000
  D0     0.000
  Fe0    0.000
  Ti0    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
  Ho1   Ho0    2 a 0. 0. 0. 1.  0 d
  D1    D0     2 b 0. 0. 0.5 0.7  0 d
  Fe1   Fe0    8 i 0.3506 0. 0. 0.82  0 d
  Ti1   Ti0    8 i 0.3506 0. 0. 0.18  0 d
  Fe2   Fe0    8 j 0.2759 0.5 0. 1.  0 d
  Fe3   Fe0    8 f 0.25 0.25 0.25 1.  0 d