The crystal structure described by Li8TbO6 crystallizes in the trigonal R-3 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. In the second Li site, Li(2) is bonded to four equivalent O(1) atoms to form LiO4 tetrahedra that share corners with two equivalent Tb(1)O6 octahedra, corners with six equivalent Li(2)O4 tetrahedra,  an edgeedge with one Tb(1)O6 octahedra, and edges with three equivalent Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 20-55°. Tb(1) is bonded to six equivalent O(1) atoms to form TbO6 octahedra that share corners with twelve equivalent Li(2)O4 tetrahedra and edges with six equivalent Li(2)O4 tetrahedra. O(1) is bonded in a 6-coordinate geometry to one Li(1), four equivalent Li(2), and one Tb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li8TbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.307
_cell_length_b   6.307
_cell_length_c   6.307
_cell_angle_alpha   53.153
_cell_angle_beta   53.153
_cell_angle_gamma   53.153
_symmetry_Int_Tables_number   1
_cell_volume   148.957
_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  0.353  0.353  0.353  1.0
  Li  Li1  1  0.898  0.507  0.227  1.0
  Li  Li2  1  0.507  0.227  0.898  1.0
  Li  Li3  1  0.227  0.898  0.507  1.0
  Li  Li4  1  0.102  0.493  0.773  1.0
  Li  Li5  1  0.493  0.773  0.102  1.0
  Li  Li6  1  0.647  0.647  0.647  1.0
  Li  Li7  1  0.773  0.102  0.493  1.0
  Tb  Tb8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.899  0.243  0.602  1.0
  O  O10  1  0.398  0.101  0.757  1.0
  O  O11  1  0.101  0.757  0.398  1.0
  O  O12  1  0.243  0.602  0.899  1.0
  O  O13  1  0.602  0.899  0.243  1.0
  O  O14  1  0.757  0.398  0.101  1.0
[/CIF]
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The crystal structure described by Li8TbO6 crystallizes in the trigonal R-3 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. In the second Li site, Li(2) is bonded to four equivalent O(1) atoms to form LiO4 tetrahedra that share corners with two equivalent Tb(1)O6 octahedra, corners with six equivalent Li(2)O4 tetrahedra,  an edgeedge with one Tb(1)O6 octahedra, and edges with three equivalent Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 20-55°. Tb(1) is bonded to six equivalent O(1) atoms to form TbO6 octahedra that share corners with twelve equivalent Li(2)O4 tetrahedra and edges with six equivalent Li(2)O4 tetrahedra. O(1) is bonded in a 6-coordinate geometry to one Li(1), four equivalent Li(2), and one Tb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li8TbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.307
_cell_length_b   6.307
_cell_length_c   6.307
_cell_angle_alpha   53.153
_cell_angle_beta   53.153
_cell_angle_gamma   53.153
_symmetry_Int_Tables_number   1
_cell_volume   148.957
_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  0.353  0.353  0.353  1.0
  Li  Li1  1  0.898  0.507  0.227  1.0
  Li  Li2  1  0.507  0.227  0.898  1.0
  Li  Li3  1  0.227  0.898  0.507  1.0
  Li  Li4  1  0.102  0.493  0.773  1.0
  Li  Li5  1  0.493  0.773  0.102  1.0
  Li  Li6  1  0.647  0.647  0.647  1.0
  Li  Li7  1  0.773  0.102  0.493  1.0
  Tb  Tb8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.899  0.243  0.602  1.0
  O  O10  1  0.398  0.101  0.757  1.0
  O  O11  1  0.101  0.757  0.398  1.0
  O  O12  1  0.243  0.602  0.899  1.0
  O  O13  1  0.602  0.899  0.243  1.0
  O  O14  1  0.757  0.398  0.101  1.0
[/CIF]
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