The material structure described by FeTiH crystallizes in the orthorhombic Pmma space group. Ti(1) is bonded in a 10-coordinate geometry to six equivalent Fe(1) and four equivalent H(1) atoms. Fe(1) is bonded in a 2-coordinate geometry to six equivalent Ti(1) and two equivalent H(1) atoms. H(1) is bonded to four equivalent Ti(1) and two equivalent Fe(1) atoms to form a mixture of corner, edge, and face-sharing HTi4Fe2 octahedra. The corner-sharing octahedral tilt angles are 65°. is represented by the CIF card [CIF]
data_TiFeH
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.905
_cell_length_b   4.278
_cell_length_c   4.558
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   56.659
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ti  Ti0  1  0.500  0.750  0.749  1.0
  Ti  Ti1  1  0.500  0.250  0.251  1.0
  Fe  Fe2  1  0.000  0.750  0.303  1.0
  Fe  Fe3  1  0.000  0.250  0.697  1.0
  H  H4  1  0.000  0.500  0.000  1.0
  H  H5  1  0.000  0.000  0.000  1.0
[/CIF]
.
The material structure described by FeTiH crystallizes in the orthorhombic Pmma space group. Ti(1) is bonded in a 10-coordinate geometry to six equivalent Fe(1) and four equivalent H(1) atoms. Fe(1) is bonded in a 2-coordinate geometry to six equivalent Ti(1) and two equivalent H(1) atoms. H(1) is bonded to four equivalent Ti(1) and two equivalent Fe(1) atoms to form a mixture of corner, edge, and face-sharing HTi4Fe2 octahedra. The corner-sharing octahedral tilt angles are 65°. is represented by the CIF card [CIF]
data_TiFeH
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.905
_cell_length_b   4.278
_cell_length_c   4.558
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   56.659
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ti  Ti0  1  0.500  0.750  0.749  1.0
  Ti  Ti1  1  0.500  0.250  0.251  1.0
  Fe  Fe2  1  0.000  0.750  0.303  1.0
  Fe  Fe3  1  0.000  0.250  0.697  1.0
  H  H4  1  0.000  0.500  0.000  1.0
  H  H5  1  0.000  0.000  0.000  1.0
[/CIF]
.