The compound described by Rb(WO3)6 crystallizes in the orthorhombic Pnnm space group. Rb(1) is bonded to four equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms to form RbO12 cuboctahedra that share edges with four equivalent W(2)O6 octahedra and edges with eight equivalent W(1)O6 octahedra. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form WO6 octahedra that share corners with two equivalent W(2)O6 octahedra, corners with four equivalent W(1)O6 octahedra, and edges with two equivalent Rb(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-30°. In the second W site, W(2) is bonded to one O(5), one O(6), two equivalent O(2), 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, and edges with two equivalent Rb(1)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 linear geometry to two equivalent W(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Rb(1), 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 W(1), and one W(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Rb(1) and two equivalent W(1) atoms. In the fifth O site, O(5) is bonded in a linear geometry to two equivalent W(2) atoms. In the sixth O site, O(6) is bonded in a linear geometry to two equivalent W(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb(WO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.518
_cell_length_b   7.730
_cell_length_c   8.454
_cell_angle_alpha   62.792
_cell_angle_beta   63.598
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   378.385
_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  0.500  0.750  0.500  1.0
  O  O1  1  0.576  0.646  0.212  1.0
  O  O2  1  0.576  0.142  0.212  1.0
  O  O3  1  0.212  0.964  0.576  1.0
  O  O4  1  0.212  0.460  0.576  1.0
  O  O5  1  0.212  0.646  0.212  1.0
  O  O6  1  0.212  0.142  0.212  1.0
  O  O7  1  0.500  0.250  0.500  1.0
  O  O8  1  1.000  0.250  0.500  1.0
  O  O9  1  0.000  0.750  0.500  1.0
  O  O10  1  0.788  0.354  0.788  1.0
  O  O11  1  0.788  0.858  0.788  1.0
  O  O12  1  0.788  0.036  0.424  1.0
  O  O13  1  0.500  0.500  1.000  1.0
  O  O14  1  0.500  0.000  1.000  1.0
  O  O15  1  0.788  0.540  0.424  1.0
  O  O16  1  0.424  0.354  0.788  1.0
  O  O17  1  0.424  0.858  0.788  1.0
  Rb  Rb18  1  0.000  0.000  0.000  1.0
  W  W19  1  0.500  0.000  0.500  1.0
  W  W20  1  0.000  0.000  0.500  1.0
  W  W21  1  0.500  0.500  0.500  1.0
  W  W22  1  1.000  0.500  0.500  1.0
  W  W23  1  0.500  0.250  1.000  1.0
  W  W24  1  0.500  0.750  0.000  1.0
[/CIF]
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The compound described by Rb(WO3)6 crystallizes in the orthorhombic Pnnm space group. Rb(1) is bonded to four equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms to form RbO12 cuboctahedra that share edges with four equivalent W(2)O6 octahedra and edges with eight equivalent W(1)O6 octahedra. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form WO6 octahedra that share corners with two equivalent W(2)O6 octahedra, corners with four equivalent W(1)O6 octahedra, and edges with two equivalent Rb(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-30°. In the second W site, W(2) is bonded to one O(5), one O(6), two equivalent O(2), 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, and edges with two equivalent Rb(1)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 linear geometry to two equivalent W(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Rb(1), 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 W(1), and one W(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Rb(1) and two equivalent W(1) atoms. In the fifth O site, O(5) is bonded in a linear geometry to two equivalent W(2) atoms. In the sixth O site, O(6) is bonded in a linear geometry to two equivalent W(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb(WO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.518
_cell_length_b   7.730
_cell_length_c   8.454
_cell_angle_alpha   62.792
_cell_angle_beta   63.598
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   378.385
_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  0.500  0.750  0.500  1.0
  O  O1  1  0.576  0.646  0.212  1.0
  O  O2  1  0.576  0.142  0.212  1.0
  O  O3  1  0.212  0.964  0.576  1.0
  O  O4  1  0.212  0.460  0.576  1.0
  O  O5  1  0.212  0.646  0.212  1.0
  O  O6  1  0.212  0.142  0.212  1.0
  O  O7  1  0.500  0.250  0.500  1.0
  O  O8  1  1.000  0.250  0.500  1.0
  O  O9  1  0.000  0.750  0.500  1.0
  O  O10  1  0.788  0.354  0.788  1.0
  O  O11  1  0.788  0.858  0.788  1.0
  O  O12  1  0.788  0.036  0.424  1.0
  O  O13  1  0.500  0.500  1.000  1.0
  O  O14  1  0.500  0.000  1.000  1.0
  O  O15  1  0.788  0.540  0.424  1.0
  O  O16  1  0.424  0.354  0.788  1.0
  O  O17  1  0.424  0.858  0.788  1.0
  Rb  Rb18  1  0.000  0.000  0.000  1.0
  W  W19  1  0.500  0.000  0.500  1.0
  W  W20  1  0.000  0.000  0.500  1.0
  W  W21  1  0.500  0.500  0.500  1.0
  W  W22  1  1.000  0.500  0.500  1.0
  W  W23  1  0.500  0.250  1.000  1.0
  W  W24  1  0.500  0.750  0.000  1.0
[/CIF]
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