The material 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, and edges with three equivalent Tb(1)O6 octahedra. In the second Rb site, Rb(2) is bonded in a distorted single-bond geometry to one O(2) atom. In the third Rb site, Rb(3) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Li(1) is bonded in a 3-coordinate geometry to 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 and edges with three equivalent Rb(1)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 and corners with three equivalent Tb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 21°. In the second V site, V(2) is bonded in a 4-coordinate geometry to one O(2) and three equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 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 linear geometry to one Rb(2), three equivalent Rb(3), and one V(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Rb(3), one Tb(1), and one V(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Rb(1), one Li(1), one Tb(1), and one V(2) atom. is represented by the CIF card [CIF]
data_Rb3LiTbV2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.974
_cell_length_b   5.974
_cell_length_c   9.137
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   282.395
_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  0.281  1.0
  Rb  Rb1  1  0.333  0.667  0.786  1.0
  Rb  Rb2  1  0.000  0.000  0.986  1.0
  Li  Li3  1  0.333  0.667  0.496  1.0
  Tb  Tb4  1  0.000  0.000  0.488  1.0
  V  V5  1  0.667  0.333  0.717  1.0
  V  V6  1  0.333  0.667  0.249  1.0
  O  O7  1  0.667  0.333  0.905  1.0
  O  O8  1  0.333  0.667  0.059  1.0
  O  O9  1  0.827  0.654  0.653  1.0
  O  O10  1  0.179  0.358  0.350  1.0
  O  O11  1  0.827  0.173  0.653  1.0
  O  O12  1  0.179  0.821  0.350  1.0
  O  O13  1  0.346  0.173  0.653  1.0
  O  O14  1  0.642  0.821  0.350  1.0
[/CIF]
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The material 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, and edges with three equivalent Tb(1)O6 octahedra. In the second Rb site, Rb(2) is bonded in a distorted single-bond geometry to one O(2) atom. In the third Rb site, Rb(3) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Li(1) is bonded in a 3-coordinate geometry to 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 and edges with three equivalent Rb(1)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 and corners with three equivalent Tb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 21°. In the second V site, V(2) is bonded in a 4-coordinate geometry to one O(2) and three equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 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 linear geometry to one Rb(2), three equivalent Rb(3), and one V(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Rb(3), one Tb(1), and one V(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Rb(1), one Li(1), one Tb(1), and one V(2) atom. is represented by the CIF card [CIF]
data_Rb3LiTbV2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.974
_cell_length_b   5.974
_cell_length_c   9.137
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   282.395
_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  0.281  1.0
  Rb  Rb1  1  0.333  0.667  0.786  1.0
  Rb  Rb2  1  0.000  0.000  0.986  1.0
  Li  Li3  1  0.333  0.667  0.496  1.0
  Tb  Tb4  1  0.000  0.000  0.488  1.0
  V  V5  1  0.667  0.333  0.717  1.0
  V  V6  1  0.333  0.667  0.249  1.0
  O  O7  1  0.667  0.333  0.905  1.0
  O  O8  1  0.333  0.667  0.059  1.0
  O  O9  1  0.827  0.654  0.653  1.0
  O  O10  1  0.179  0.358  0.350  1.0
  O  O11  1  0.827  0.173  0.653  1.0
  O  O12  1  0.179  0.821  0.350  1.0
  O  O13  1  0.346  0.173  0.653  1.0
  O  O14  1  0.642  0.821  0.350  1.0
[/CIF]
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