The material described by LiTbSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to six equivalent Se(1) atoms to form LiSe6 octahedra that share corners with six equivalent Tb(1)Se6 octahedra, edges with six equivalent Li(1)Se6 octahedra, and edges with six equivalent Tb(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 1°. Tb(1) is bonded to six equivalent Se(1) atoms to form TbSe6 octahedra that share corners with six equivalent Li(1)Se6 octahedra, edges with six equivalent Li(1)Se6 octahedra, and edges with six equivalent Tb(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 1°. Se(1) is bonded to three equivalent Li(1) and three equivalent Tb(1) atoms to form a mixture of corner and edge-sharing SeLi3Tb3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_LiTbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.882
_cell_length_b   6.882
_cell_length_c   6.882
_cell_angle_alpha   34.409
_cell_angle_beta   34.409
_cell_angle_gamma   34.409
_symmetry_Int_Tables_number   1
_cell_volume   92.855
_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
  Li  Li0  1  0.500  0.500  0.500  1.0
  Tb  Tb1  1  0.000  0.000  0.000  1.0
  Se  Se2  1  0.249  0.249  0.249  1.0
  Se  Se3  1  0.751  0.751  0.751  1.0
[/CIF]
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The material described by LiTbSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to six equivalent Se(1) atoms to form LiSe6 octahedra that share corners with six equivalent Tb(1)Se6 octahedra, edges with six equivalent Li(1)Se6 octahedra, and edges with six equivalent Tb(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 1°. Tb(1) is bonded to six equivalent Se(1) atoms to form TbSe6 octahedra that share corners with six equivalent Li(1)Se6 octahedra, edges with six equivalent Li(1)Se6 octahedra, and edges with six equivalent Tb(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 1°. Se(1) is bonded to three equivalent Li(1) and three equivalent Tb(1) atoms to form a mixture of corner and edge-sharing SeLi3Tb3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_LiTbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.882
_cell_length_b   6.882
_cell_length_c   6.882
_cell_angle_alpha   34.409
_cell_angle_beta   34.409
_cell_angle_gamma   34.409
_symmetry_Int_Tables_number   1
_cell_volume   92.855
_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
  Li  Li0  1  0.500  0.500  0.500  1.0
  Tb  Tb1  1  0.000  0.000  0.000  1.0
  Se  Se2  1  0.249  0.249  0.249  1.0
  Se  Se3  1  0.751  0.751  0.751  1.0
[/CIF]
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