The material structure described by TiH is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ti(1) is bonded to six equivalent H(1) atoms to form a mixture of face, corner, and edge-sharing TiH6 octahedra. The corner-sharing octahedral tilt angles are 46°. H(1) is bonded to six equivalent Ti(1) atoms to form a mixture of distorted corner and edge-sharing HTi6 pentagonal pyramids. is represented by the CIF file [CIF]
data_TiH
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.878
_cell_length_b   2.878
_cell_length_c   5.263
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   37.744
_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  0.000  0.000  0.500  1.0
  Ti  Ti1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.333  0.667  0.250  1.0
  H  H3  1  0.667  0.333  0.750  1.0
[/CIF]
.
The material structure described by TiH is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ti(1) is bonded to six equivalent H(1) atoms to form a mixture of face, corner, and edge-sharing TiH6 octahedra. The corner-sharing octahedral tilt angles are 46°. H(1) is bonded to six equivalent Ti(1) atoms to form a mixture of distorted corner and edge-sharing HTi6 pentagonal pyramids. is represented by the CIF file [CIF]
data_TiH
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.878
_cell_length_b   2.878
_cell_length_c   5.263
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   37.744
_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  0.000  0.000  0.500  1.0
  Ti  Ti1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.333  0.667  0.250  1.0
  H  H3  1  0.667  0.333  0.750  1.0
[/CIF]
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