#------------------------------------------------------------------------------
#$Date: 2009-11-18 14:56:34 +0000 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: svn://www.crystallography.net/cod/cif/1/1008266.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_1008266
_chemical_name_systematic
;
IRON MANGANESE TITANIUM DEUTERIDE (0.9/0.1/1/1.7) - $-GAMMA
;
_chemical_formula_structural       'FE0.9 MN0.1 TI D1.69'
_chemical_formula_sum            'D1.69 Fe0.9 Mn0.1 Ti'
_[local]_cod_chemical_formula_sum_orig 'D1.69 Fe.9 Mn.1 Ti'
_publ_section_title
;
Structural and activation process studies of Fe-Ti-like hydride
compounds
;
loop_
_publ_author_name
  'Fruchart, D'
  'Commandre, M'
  'Sauvage, D'
  'Rouault, A'
  'Tellgren, R'
_journal_name_full                 'Journal of the Less-Common Metals'
_journal_coden_ASTM                JCOMAH
_journal_volume                    74
_journal_year                      1980
_journal_page_first                55
_journal_page_last                 63
_cell_length_a                     4.714(2)
_cell_length_b                     2.837(2)
_cell_length_c                     4.714(3)
_cell_angle_alpha                  90
_cell_angle_beta                   97.14(9)
_cell_angle_gamma                  90
_cell_volume                       62.6
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 1 2/m 1'
_symmetry_Int_Tables_number        10
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,-z'
  '-x,-y,-z'
  'x,-y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Fe0    0.000
  Mn0    0.000
  Ti0    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
  Fe1   Fe0    2 m 0.181(3) 0. 0.744(4) 0.9  0 d
  Mn1   Mn0    2 m 0.181(3) 0. 0.744(4) 0.1  0 d
  Ti1   Ti0    2 n 0.266(5) 0.5 0.239(5) 1.  0 d
  D1    D0     1 a 0. 0. 0. 0.96(2)  0 d
  D2    D0     1 d 0.5 0. 0. 0.96(2)  0 d
  D3    D0     1 g 0.5 0. 0.5 0.76(2)  0 d
  D4    D0     1 f 0. 0.5 0.5 0.69(3)  0 d
_refine_ls_R_factor_all            0.037