The compound described by LiTb3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to twelve equivalent Tb(1) atoms to form LiTb12 cuboctahedra that share corners with six equivalent Li(1)Tb12 cuboctahedra, corners with twelve equivalent Tb(1)Li4Tb8 cuboctahedra, edges with eighteen equivalent Tb(1)Li4Tb8 cuboctahedra, faces with eight equivalent Li(1)Tb12 cuboctahedra, and faces with twelve equivalent Tb(1)Li4Tb8 cuboctahedra. Tb(1) is bonded to four equivalent Li(1) and eight equivalent Tb(1) atoms to form TbLi4Tb8 cuboctahedra that share corners with four equivalent Li(1)Tb12 cuboctahedra, corners with fourteen equivalent Tb(1)Li4Tb8 cuboctahedra, edges with six equivalent Li(1)Tb12 cuboctahedra, edges with twelve equivalent Tb(1)Li4Tb8 cuboctahedra, faces with four equivalent Li(1)Tb12 cuboctahedra, and faces with sixteen equivalent Tb(1)Li4Tb8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiTb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.025
_cell_length_b   7.025
_cell_length_c   5.548
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   237.137
_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
  Li  Li0  1  0.667  0.333  0.250  1.0
  Li  Li1  1  0.333  0.667  0.750  1.0
  Tb  Tb2  1  0.831  0.169  0.750  1.0
  Tb  Tb3  1  0.338  0.169  0.750  1.0
  Tb  Tb4  1  0.831  0.662  0.750  1.0
  Tb  Tb5  1  0.169  0.831  0.250  1.0
  Tb  Tb6  1  0.662  0.831  0.250  1.0
  Tb  Tb7  1  0.169  0.338  0.250  1.0
[/CIF]
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The compound described by LiTb3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to twelve equivalent Tb(1) atoms to form LiTb12 cuboctahedra that share corners with six equivalent Li(1)Tb12 cuboctahedra, corners with twelve equivalent Tb(1)Li4Tb8 cuboctahedra, edges with eighteen equivalent Tb(1)Li4Tb8 cuboctahedra, faces with eight equivalent Li(1)Tb12 cuboctahedra, and faces with twelve equivalent Tb(1)Li4Tb8 cuboctahedra. Tb(1) is bonded to four equivalent Li(1) and eight equivalent Tb(1) atoms to form TbLi4Tb8 cuboctahedra that share corners with four equivalent Li(1)Tb12 cuboctahedra, corners with fourteen equivalent Tb(1)Li4Tb8 cuboctahedra, edges with six equivalent Li(1)Tb12 cuboctahedra, edges with twelve equivalent Tb(1)Li4Tb8 cuboctahedra, faces with four equivalent Li(1)Tb12 cuboctahedra, and faces with sixteen equivalent Tb(1)Li4Tb8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiTb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.025
_cell_length_b   7.025
_cell_length_c   5.548
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   237.137
_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
  Li  Li0  1  0.667  0.333  0.250  1.0
  Li  Li1  1  0.333  0.667  0.750  1.0
  Tb  Tb2  1  0.831  0.169  0.750  1.0
  Tb  Tb3  1  0.338  0.169  0.750  1.0
  Tb  Tb4  1  0.831  0.662  0.750  1.0
  Tb  Tb5  1  0.169  0.831  0.250  1.0
  Tb  Tb6  1  0.662  0.831  0.250  1.0
  Tb  Tb7  1  0.169  0.338  0.250  1.0
[/CIF]
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