The compound described by Rb(WO3)3 crystallizes in the hexagonal P6_3mc space group. Rb(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form distorted RbO12 cuboctahedra that share edges with twelve equivalent W(1)O6 octahedra and faces with two equivalent Rb(1)O12 cuboctahedra. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent W(1)O6 octahedra and edges with four equivalent Rb(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 10-32°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Rb(1) and two equivalent W(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Rb(1) and two equivalent W(1) atoms. In the third O site, O(3) is bonded in a linear geometry to two equivalent W(1) atoms. is represented by the CIF card [CIF]
data_Rb(WO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.522
_cell_length_b   7.522
_cell_length_c   7.742
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   379.313
_cell_formula_units_Z   2
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  0.000  0.000  0.511  1.0
  Rb  Rb1  1  0.000  0.000  0.011  1.0
  W  W2  1  0.500  0.000  0.249  1.0
  W  W3  1  1.000  0.500  0.249  1.0
  W  W4  1  0.500  0.500  0.249  1.0
  W  W5  1  0.500  1.000  0.749  1.0
  W  W6  1  0.000  0.500  0.749  1.0
  W  W7  1  0.500  0.500  0.749  1.0
  O  O8  1  0.790  0.210  0.233  1.0
  O  O9  1  0.790  0.580  0.233  1.0
  O  O10  1  0.420  0.210  0.233  1.0
  O  O11  1  0.210  0.790  0.733  1.0
  O  O12  1  0.210  0.420  0.733  1.0
  O  O13  1  0.580  0.790  0.733  1.0
  O  O14  1  0.210  0.421  0.264  1.0
  O  O15  1  0.579  0.790  0.264  1.0
  O  O16  1  0.210  0.790  0.264  1.0
  O  O17  1  0.790  0.579  0.764  1.0
  O  O18  1  0.421  0.210  0.764  1.0
  O  O19  1  0.790  0.210  0.764  1.0
  O  O20  1  0.513  0.026  0.499  1.0
  O  O21  1  0.974  0.487  0.499  1.0
  O  O22  1  0.513  0.487  0.499  1.0
  O  O23  1  0.487  0.974  0.999  1.0
  O  O24  1  0.026  0.513  0.999  1.0
  O  O25  1  0.487  0.513  0.999  1.0
[/CIF]
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The compound described by Rb(WO3)3 crystallizes in the hexagonal P6_3mc space group. Rb(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form distorted RbO12 cuboctahedra that share edges with twelve equivalent W(1)O6 octahedra and faces with two equivalent Rb(1)O12 cuboctahedra. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent W(1)O6 octahedra and edges with four equivalent Rb(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 10-32°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Rb(1) and two equivalent W(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Rb(1) and two equivalent W(1) atoms. In the third O site, O(3) is bonded in a linear geometry to two equivalent W(1) atoms. is represented by the CIF card [CIF]
data_Rb(WO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.522
_cell_length_b   7.522
_cell_length_c   7.742
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   379.313
_cell_formula_units_Z   2
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  0.000  0.000  0.511  1.0
  Rb  Rb1  1  0.000  0.000  0.011  1.0
  W  W2  1  0.500  0.000  0.249  1.0
  W  W3  1  1.000  0.500  0.249  1.0
  W  W4  1  0.500  0.500  0.249  1.0
  W  W5  1  0.500  1.000  0.749  1.0
  W  W6  1  0.000  0.500  0.749  1.0
  W  W7  1  0.500  0.500  0.749  1.0
  O  O8  1  0.790  0.210  0.233  1.0
  O  O9  1  0.790  0.580  0.233  1.0
  O  O10  1  0.420  0.210  0.233  1.0
  O  O11  1  0.210  0.790  0.733  1.0
  O  O12  1  0.210  0.420  0.733  1.0
  O  O13  1  0.580  0.790  0.733  1.0
  O  O14  1  0.210  0.421  0.264  1.0
  O  O15  1  0.579  0.790  0.264  1.0
  O  O16  1  0.210  0.790  0.264  1.0
  O  O17  1  0.790  0.579  0.764  1.0
  O  O18  1  0.421  0.210  0.764  1.0
  O  O19  1  0.790  0.210  0.764  1.0
  O  O20  1  0.513  0.026  0.499  1.0
  O  O21  1  0.974  0.487  0.499  1.0
  O  O22  1  0.513  0.487  0.499  1.0
  O  O23  1  0.487  0.974  0.999  1.0
  O  O24  1  0.026  0.513  0.999  1.0
  O  O25  1  0.487  0.513  0.999  1.0
[/CIF]
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