The structure described by Rb3ScV2O8 crystallizes in the trigonal P-3m1 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 10-coordinate geometry to one O(1) and nine equivalent O(2) atoms. In the second Rb site, Rb(2) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form RbO12 cuboctahedra that share edges with six equivalent Rb(2)O12 cuboctahedra, edges with six equivalent V(1)O4 tetrahedra, and faces with two equivalent Sc(1)O6 octahedra. Sc(1) is bonded to six equivalent O(2) atoms to form ScO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra and faces with two equivalent Rb(2)O12 cuboctahedra. V(1) is bonded to one O(1) and three equivalent O(2) atoms to form VO4 tetrahedra that share corners with three equivalent Sc(1)O6 octahedra and edges with three equivalent Rb(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 16°. There are two 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(2), and one V(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Rb(2), three equivalent Rb(1), one Sc(1), and one V(1) atom. is represented by the CIF card [CIF]
data_Rb3ScV2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.929
_cell_length_b   5.929
_cell_length_c   7.908
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   240.734
_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  0.296  1.0
  Rb  Rb1  1  0.333  0.667  0.704  1.0
  Rb  Rb2  1  0.000  0.000  0.000  1.0
  Sc  Sc3  1  0.000  0.000  0.500  1.0
  V  V4  1  0.667  0.333  0.731  1.0
  V  V5  1  0.333  0.667  0.269  1.0
  O  O6  1  0.667  0.333  0.944  1.0
  O  O7  1  0.333  0.667  0.056  1.0
  O  O8  1  0.830  0.660  0.657  1.0
  O  O9  1  0.170  0.340  0.343  1.0
  O  O10  1  0.830  0.170  0.657  1.0
  O  O11  1  0.170  0.830  0.343  1.0
  O  O12  1  0.340  0.170  0.657  1.0
  O  O13  1  0.660  0.830  0.343  1.0
[/CIF]
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The structure described by Rb3ScV2O8 crystallizes in the trigonal P-3m1 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 10-coordinate geometry to one O(1) and nine equivalent O(2) atoms. In the second Rb site, Rb(2) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form RbO12 cuboctahedra that share edges with six equivalent Rb(2)O12 cuboctahedra, edges with six equivalent V(1)O4 tetrahedra, and faces with two equivalent Sc(1)O6 octahedra. Sc(1) is bonded to six equivalent O(2) atoms to form ScO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra and faces with two equivalent Rb(2)O12 cuboctahedra. V(1) is bonded to one O(1) and three equivalent O(2) atoms to form VO4 tetrahedra that share corners with three equivalent Sc(1)O6 octahedra and edges with three equivalent Rb(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 16°. There are two 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(2), and one V(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Rb(2), three equivalent Rb(1), one Sc(1), and one V(1) atom. is represented by the CIF card [CIF]
data_Rb3ScV2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.929
_cell_length_b   5.929
_cell_length_c   7.908
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   240.734
_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  0.296  1.0
  Rb  Rb1  1  0.333  0.667  0.704  1.0
  Rb  Rb2  1  0.000  0.000  0.000  1.0
  Sc  Sc3  1  0.000  0.000  0.500  1.0
  V  V4  1  0.667  0.333  0.731  1.0
  V  V5  1  0.333  0.667  0.269  1.0
  O  O6  1  0.667  0.333  0.944  1.0
  O  O7  1  0.333  0.667  0.056  1.0
  O  O8  1  0.830  0.660  0.657  1.0
  O  O9  1  0.170  0.340  0.343  1.0
  O  O10  1  0.830  0.170  0.657  1.0
  O  O11  1  0.170  0.830  0.343  1.0
  O  O12  1  0.340  0.170  0.657  1.0
  O  O13  1  0.660  0.830  0.343  1.0
[/CIF]
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