The material structure described by TbH3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Tb(1) is bonded in a distorted body-centered cubic geometry to six equivalent H(1) and eight equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded to six equivalent Tb(1) atoms to form HTb6 octahedra that share corners with six equivalent H(1)Tb6 octahedra, corners with twenty-four equivalent H(2)Tb4 tetrahedra, edges with twelve equivalent H(1)Tb6 octahedra, and faces with eight equivalent H(2)Tb4 tetrahedra. The corner-sharing octahedra are not tilted. In the second H site, H(2) is bonded to four equivalent Tb(1) atoms to form HTb4 tetrahedra that share corners with twelve equivalent H(1)Tb6 octahedra, corners with sixteen equivalent H(2)Tb4 tetrahedra, edges with six equivalent H(2)Tb4 tetrahedra, and faces with four equivalent H(1)Tb6 octahedra. The corner-sharing octahedral tilt angles are 55°. is represented by the CIF card [CIF]
data_TbH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.659
_cell_length_b   3.659
_cell_length_c   3.659
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   34.641
_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
  Tb  Tb0  1  0.000  0.000  0.000  1.0
  H  H1  1  0.500  0.500  0.500  1.0
  H  H2  1  0.250  0.250  0.250  1.0
  H  H3  1  0.750  0.750  0.750  1.0
[/CIF]
.
The material structure described by TbH3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Tb(1) is bonded in a distorted body-centered cubic geometry to six equivalent H(1) and eight equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded to six equivalent Tb(1) atoms to form HTb6 octahedra that share corners with six equivalent H(1)Tb6 octahedra, corners with twenty-four equivalent H(2)Tb4 tetrahedra, edges with twelve equivalent H(1)Tb6 octahedra, and faces with eight equivalent H(2)Tb4 tetrahedra. The corner-sharing octahedra are not tilted. In the second H site, H(2) is bonded to four equivalent Tb(1) atoms to form HTb4 tetrahedra that share corners with twelve equivalent H(1)Tb6 octahedra, corners with sixteen equivalent H(2)Tb4 tetrahedra, edges with six equivalent H(2)Tb4 tetrahedra, and faces with four equivalent H(1)Tb6 octahedra. The corner-sharing octahedral tilt angles are 55°. is represented by the CIF card [CIF]
data_TbH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.659
_cell_length_b   3.659
_cell_length_c   3.659
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   34.641
_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
  Tb  Tb0  1  0.000  0.000  0.000  1.0
  H  H1  1  0.500  0.500  0.500  1.0
  H  H2  1  0.250  0.250  0.250  1.0
  H  H3  1  0.750  0.750  0.750  1.0
[/CIF]
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