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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008895.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_1008895
_chemical_name_systematic
;
Cerium iron titanium hydride (1/11.04/0.96/0.87)
;
_chemical_formula_structural       'Ce Fe11.04 Ti0.96 H0.87'
_chemical_formula_sum              'H.87 Ce Fe11.04 Ti.96'
_publ_section_title
;
Hydrogen effects on the magnetic properties of R Fe11 Ti compounds
;
loop_
_publ_author_name
  'Isnard, O'
  'Miraglia, S'
  'Guillot, M'
  'Fruchart, D'
_journal_name_full                 'Journal of Alloys Compd.'
_journal_coden_ASTM                JALCEU
_journal_volume                    275
_journal_year                      1998
_journal_page_first                637
_journal_page_last                 641
_cell_length_a                     8.566(1)
_cell_length_b                     8.566(1)
_cell_length_c                     4.802(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       352.4
_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
  Ce0    0.000
  Fe0    0.000
  Ti0    0.000
  H0     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
  Ce1   Ce0    2 a 0. 0. 0. 1.  0 d
  Fe1   Fe0    8 i 0.3534(6) 0. 0. 0.76(1)  0 d
  Ti1   Ti0    8 i 0.3534(6) 0. 0. 0.24(1)  0 d
  Fe2   Fe0    8 j 0.2753(4) 0.5 0. 1.  0 d
  Fe3   Fe0    8 f 0.25 0.25 0.25 1.  0 d
  H1    H0     2 b 0. 0. 0.5 0.87(5)  0 d
_refine_ls_R_factor_all            0.026