The crystal structure described by U2TiH3 crystallizes in the hexagonal P6/mmm space group. U(1) is bonded in a 6-coordinate geometry to six equivalent H(1) atoms. Ti(1) is bonded in a hexagonal planar geometry to six equivalent H(1) atoms. H(1) is bonded to four equivalent U(1) and two equivalent Ti(1) atoms to form a mixture of edge, corner, and face-sharing HU4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF card [CIF]
data_U2TiH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.732
_cell_length_b   4.732
_cell_length_c   3.690
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   71.559
_cell_formula_units_Z   1
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
  U  U0  1  0.667  0.333  0.500  1.0
  U  U1  1  0.333  0.667  0.500  1.0
  Ti  Ti2  1  0.000  0.000  0.000  1.0
  H  H3  1  0.500  0.000  0.000  1.0
  H  H4  1  0.000  0.500  0.000  1.0
  H  H5  1  0.500  0.500  0.000  1.0
[/CIF]
.
The crystal structure described by U2TiH3 crystallizes in the hexagonal P6/mmm space group. U(1) is bonded in a 6-coordinate geometry to six equivalent H(1) atoms. Ti(1) is bonded in a hexagonal planar geometry to six equivalent H(1) atoms. H(1) is bonded to four equivalent U(1) and two equivalent Ti(1) atoms to form a mixture of edge, corner, and face-sharing HU4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF card [CIF]
data_U2TiH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.732
_cell_length_b   4.732
_cell_length_c   3.690
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   71.559
_cell_formula_units_Z   1
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
  U  U0  1  0.667  0.333  0.500  1.0
  U  U1  1  0.333  0.667  0.500  1.0
  Ti  Ti2  1  0.000  0.000  0.000  1.0
  H  H3  1  0.500  0.000  0.000  1.0
  H  H4  1  0.000  0.500  0.000  1.0
  H  H5  1  0.500  0.500  0.000  1.0
[/CIF]
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