The material structure described by Rb3LiTbV2O8 crystallizes in the trigonal P3m1 space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to one O(1) and six equivalent O(4) atoms to form distorted RbO7 hexagonal pyramids that share corners with six equivalent Rb(1)O7 hexagonal pyramids,  a cornercorner with one V(1)O4 tetrahedra, edges with three equivalent Tb(1)O6 octahedra, and edges with three equivalent V(2)O4 tetrahedra. In the second Rb site, Rb(2) is bonded to one O(2) and six equivalent O(3) atoms to form RbO7 hexagonal pyramids that share corners with six equivalent Rb(2)O7 hexagonal pyramids,  a cornercorner with one V(2)O4 tetrahedra, edges with three equivalent Tb(1)O6 octahedra, and edges with three equivalent V(1)O4 tetrahedra. In the third Rb site, Rb(3) is bonded in a 7-coordinate geometry to one Li(1), three equivalent O(1), and three equivalent O(3) atoms. Li(1) is bonded in a 3-coordinate geometry to one Rb(3) and three equivalent O(4) atoms. Tb(1) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form TbO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra, corners with three equivalent V(2)O4 tetrahedra, edges with three equivalent Rb(1)O7 hexagonal pyramids, and edges with three equivalent Rb(2)O7 hexagonal pyramids. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1) and three equivalent O(3) atoms to form VO4 tetrahedra that share  a cornercorner with one Rb(1)O7 hexagonal pyramid, corners with three equivalent Tb(1)O6 octahedra, and edges with three equivalent Rb(2)O7 hexagonal pyramids. The corner-sharing octahedral tilt angles are 20°. In the second V site, V(2) is bonded to one O(2) and three equivalent O(4) atoms to form VO4 tetrahedra that share  a cornercorner with one Rb(2)O7 hexagonal pyramid, corners with three equivalent Tb(1)O6 octahedra, and edges with three equivalent Rb(1)O7 hexagonal pyramids. The corner-sharing octahedral tilt angles are 22°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Rb(1), three equivalent Rb(3), and one V(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Rb(2) and one V(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Rb(3), two equivalent Rb(2), one Tb(1), and one V(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Rb(1), one Li(1), one Tb(1), and one V(2) atom. is represented by the CIF file [CIF]
data_Rb3LiTbV2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.985
_cell_length_b   5.985
_cell_length_c   8.802
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   273.053
_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
  Rb  Rb0  1  0.667  0.333  0.273  1.0
  Rb  Rb1  1  0.333  0.667  0.731  1.0
  Rb  Rb2  1  0.000  0.000  0.932  1.0
  Li  Li3  1  0.000  0.000  0.233  1.0
  Tb  Tb4  1  0.000  0.000  0.515  1.0
  V  V5  1  0.667  0.333  0.743  1.0
  V  V6  1  0.333  0.667  0.265  1.0
  O  O7  1  0.667  0.333  0.935  1.0
  O  O8  1  0.333  0.667  0.067  1.0
  O  O9  1  0.828  0.656  0.678  1.0
  O  O10  1  0.164  0.327  0.338  1.0
  O  O11  1  0.828  0.172  0.678  1.0
  O  O12  1  0.164  0.836  0.338  1.0
  O  O13  1  0.344  0.172  0.678  1.0
  O  O14  1  0.673  0.836  0.338  1.0
[/CIF]
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The material structure described by Rb3LiTbV2O8 crystallizes in the trigonal P3m1 space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to one O(1) and six equivalent O(4) atoms to form distorted RbO7 hexagonal pyramids that share corners with six equivalent Rb(1)O7 hexagonal pyramids,  a cornercorner with one V(1)O4 tetrahedra, edges with three equivalent Tb(1)O6 octahedra, and edges with three equivalent V(2)O4 tetrahedra. In the second Rb site, Rb(2) is bonded to one O(2) and six equivalent O(3) atoms to form RbO7 hexagonal pyramids that share corners with six equivalent Rb(2)O7 hexagonal pyramids,  a cornercorner with one V(2)O4 tetrahedra, edges with three equivalent Tb(1)O6 octahedra, and edges with three equivalent V(1)O4 tetrahedra. In the third Rb site, Rb(3) is bonded in a 7-coordinate geometry to one Li(1), three equivalent O(1), and three equivalent O(3) atoms. Li(1) is bonded in a 3-coordinate geometry to one Rb(3) and three equivalent O(4) atoms. Tb(1) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form TbO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra, corners with three equivalent V(2)O4 tetrahedra, edges with three equivalent Rb(1)O7 hexagonal pyramids, and edges with three equivalent Rb(2)O7 hexagonal pyramids. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1) and three equivalent O(3) atoms to form VO4 tetrahedra that share  a cornercorner with one Rb(1)O7 hexagonal pyramid, corners with three equivalent Tb(1)O6 octahedra, and edges with three equivalent Rb(2)O7 hexagonal pyramids. The corner-sharing octahedral tilt angles are 20°. In the second V site, V(2) is bonded to one O(2) and three equivalent O(4) atoms to form VO4 tetrahedra that share  a cornercorner with one Rb(2)O7 hexagonal pyramid, corners with three equivalent Tb(1)O6 octahedra, and edges with three equivalent Rb(1)O7 hexagonal pyramids. The corner-sharing octahedral tilt angles are 22°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Rb(1), three equivalent Rb(3), and one V(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Rb(2) and one V(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Rb(3), two equivalent Rb(2), one Tb(1), and one V(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Rb(1), one Li(1), one Tb(1), and one V(2) atom. is represented by the CIF file [CIF]
data_Rb3LiTbV2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.985
_cell_length_b   5.985
_cell_length_c   8.802
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   273.053
_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
  Rb  Rb0  1  0.667  0.333  0.273  1.0
  Rb  Rb1  1  0.333  0.667  0.731  1.0
  Rb  Rb2  1  0.000  0.000  0.932  1.0
  Li  Li3  1  0.000  0.000  0.233  1.0
  Tb  Tb4  1  0.000  0.000  0.515  1.0
  V  V5  1  0.667  0.333  0.743  1.0
  V  V6  1  0.333  0.667  0.265  1.0
  O  O7  1  0.667  0.333  0.935  1.0
  O  O8  1  0.333  0.667  0.067  1.0
  O  O9  1  0.828  0.656  0.678  1.0
  O  O10  1  0.164  0.327  0.338  1.0
  O  O11  1  0.828  0.172  0.678  1.0
  O  O12  1  0.164  0.836  0.338  1.0
  O  O13  1  0.344  0.172  0.678  1.0
  O  O14  1  0.673  0.836  0.338  1.0
[/CIF]
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