The compound described by Rb(WO3)3 crystallizes in the trigonal P3 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to three equivalent O(1), three equivalent O(3), three equivalent O(4), and three equivalent O(6) atoms to form RbO12 cuboctahedra that share edges with six equivalent W(1)O6 octahedra, edges with six equivalent W(2)O6 octahedra, and faces with two equivalent Rb(2)O12 cuboctahedra. In the second Rb site, Rb(2) is bonded to three equivalent O(1), three equivalent O(3), three equivalent O(4), and three equivalent O(6) atoms to form RbO12 cuboctahedra that share edges with six equivalent W(1)O6 octahedra, edges with six equivalent W(2)O6 octahedra, and faces with two equivalent Rb(1)O12 cuboctahedra. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form WO6 octahedra that share corners with two equivalent W(2)O6 octahedra, corners with four equivalent W(1)O6 octahedra, edges with two equivalent Rb(1)O12 cuboctahedra, and edges with two equivalent Rb(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-30°. In the second W site, W(2) is bonded to one O(2), one O(5), two equivalent O(4), and two equivalent O(6) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with four equivalent W(2)O6 octahedra, edges with two equivalent Rb(1)O12 cuboctahedra, and edges with two equivalent Rb(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-30°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Rb(1), one Rb(2), and two equivalent W(1) atoms. In the second O site, O(2) is bonded in a linear geometry to one W(1) and one W(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Rb(1), one Rb(2), and two equivalent W(1) atoms. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Rb(1), one Rb(2), and two equivalent W(2) atoms. In the fifth O site, O(5) is bonded in a linear geometry to one W(1) and one W(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Rb(1), one Rb(2), and two equivalent W(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb(WO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.848
_cell_length_b   7.492
_cell_length_c   7.492
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   187.063
_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
  O  O0  1  0.516  0.578  0.787  1.0
  O  O1  1  0.016  0.504  0.000  1.0
  O  O2  1  0.516  0.791  0.213  1.0
  O  O3  1  0.516  0.213  0.791  1.0
  O  O4  1  0.016  1.000  0.504  1.0
  O  O5  1  0.016  0.496  0.496  1.0
  O  O6  1  0.516  0.209  0.422  1.0
  O  O7  1  0.516  0.787  0.578  1.0
  O  O8  1  0.516  0.422  0.209  1.0
  Rb  Rb9  1  0.005  0.000  0.000  1.0
  W  W10  1  0.516  1.000  0.504  1.0
  W  W11  1  0.516  0.496  0.496  1.0
  W  W12  1  0.516  0.504  0.000  1.0
[/CIF]
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The compound described by Rb(WO3)3 crystallizes in the trigonal P3 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to three equivalent O(1), three equivalent O(3), three equivalent O(4), and three equivalent O(6) atoms to form RbO12 cuboctahedra that share edges with six equivalent W(1)O6 octahedra, edges with six equivalent W(2)O6 octahedra, and faces with two equivalent Rb(2)O12 cuboctahedra. In the second Rb site, Rb(2) is bonded to three equivalent O(1), three equivalent O(3), three equivalent O(4), and three equivalent O(6) atoms to form RbO12 cuboctahedra that share edges with six equivalent W(1)O6 octahedra, edges with six equivalent W(2)O6 octahedra, and faces with two equivalent Rb(1)O12 cuboctahedra. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form WO6 octahedra that share corners with two equivalent W(2)O6 octahedra, corners with four equivalent W(1)O6 octahedra, edges with two equivalent Rb(1)O12 cuboctahedra, and edges with two equivalent Rb(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-30°. In the second W site, W(2) is bonded to one O(2), one O(5), two equivalent O(4), and two equivalent O(6) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with four equivalent W(2)O6 octahedra, edges with two equivalent Rb(1)O12 cuboctahedra, and edges with two equivalent Rb(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-30°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Rb(1), one Rb(2), and two equivalent W(1) atoms. In the second O site, O(2) is bonded in a linear geometry to one W(1) and one W(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Rb(1), one Rb(2), and two equivalent W(1) atoms. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Rb(1), one Rb(2), and two equivalent W(2) atoms. In the fifth O site, O(5) is bonded in a linear geometry to one W(1) and one W(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Rb(1), one Rb(2), and two equivalent W(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb(WO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.848
_cell_length_b   7.492
_cell_length_c   7.492
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   187.063
_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
  O  O0  1  0.516  0.578  0.787  1.0
  O  O1  1  0.016  0.504  0.000  1.0
  O  O2  1  0.516  0.791  0.213  1.0
  O  O3  1  0.516  0.213  0.791  1.0
  O  O4  1  0.016  1.000  0.504  1.0
  O  O5  1  0.016  0.496  0.496  1.0
  O  O6  1  0.516  0.209  0.422  1.0
  O  O7  1  0.516  0.787  0.578  1.0
  O  O8  1  0.516  0.422  0.209  1.0
  Rb  Rb9  1  0.005  0.000  0.000  1.0
  W  W10  1  0.516  1.000  0.504  1.0
  W  W11  1  0.516  0.496  0.496  1.0
  W  W12  1  0.516  0.504  0.000  1.0
[/CIF]
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