The material structure described by Rb2W3SeO12 crystallizes in the hexagonal P6_3 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. W(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 31-46°. Se(1) is bonded in a trigonal non-coplanar geometry to three equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Rb(1), one W(1), and one Se(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Rb(2) and two equivalent W(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Rb(2) and one W(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. is represented by the CIF file [CIF]
data_Rb2W3SeO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.264
_cell_length_b   7.264
_cell_length_c   12.159
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   555.621
_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  0.667  0.333  0.552  1.0
  Rb  Rb1  1  0.333  0.667  0.052  1.0
  Rb  Rb2  1  0.667  0.333  0.930  1.0
  Rb  Rb3  1  0.333  0.667  0.430  1.0
  W  W4  1  0.661  0.815  0.763  1.0
  W  W5  1  0.154  0.339  0.763  1.0
  W  W6  1  0.339  0.185  0.263  1.0
  W  W7  1  0.185  0.846  0.763  1.0
  W  W8  1  0.846  0.661  0.263  1.0
  W  W9  1  0.815  0.154  0.263  1.0
  Se  Se10  1  0.000  0.000  0.995  1.0
  Se  Se11  1  0.000  0.000  0.495  1.0
  O  O12  1  0.753  0.875  0.935  1.0
  O  O13  1  0.123  0.247  0.935  1.0
  O  O14  1  0.247  0.125  0.435  1.0
  O  O15  1  0.125  0.877  0.935  1.0
  O  O16  1  0.877  0.753  0.435  1.0
  O  O17  1  0.875  0.123  0.435  1.0
  O  O18  1  0.452  0.540  0.809  1.0
  O  O19  1  0.088  0.548  0.809  1.0
  O  O20  1  0.548  0.460  0.309  1.0
  O  O21  1  0.460  0.912  0.809  1.0
  O  O22  1  0.912  0.452  0.309  1.0
  O  O23  1  0.540  0.088  0.309  1.0
  O  O24  1  0.597  0.794  0.624  1.0
  O  O25  1  0.197  0.403  0.624  1.0
  O  O26  1  0.403  0.206  0.124  1.0
  O  O27  1  0.206  0.803  0.624  1.0
  O  O28  1  0.803  0.597  0.124  1.0
  O  O29  1  0.794  0.197  0.124  1.0
  O  O30  1  0.872  0.121  0.752  1.0
  O  O31  1  0.250  0.128  0.752  1.0
  O  O32  1  0.128  0.879  0.252  1.0
  O  O33  1  0.879  0.750  0.752  1.0
  O  O34  1  0.750  0.872  0.252  1.0
  O  O35  1  0.121  0.250  0.252  1.0
[/CIF]
.
The material structure described by Rb2W3SeO12 crystallizes in the hexagonal P6_3 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. W(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 31-46°. Se(1) is bonded in a trigonal non-coplanar geometry to three equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Rb(1), one W(1), and one Se(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Rb(2) and two equivalent W(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Rb(2) and one W(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. is represented by the CIF file [CIF]
data_Rb2W3SeO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.264
_cell_length_b   7.264
_cell_length_c   12.159
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   555.621
_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  0.667  0.333  0.552  1.0
  Rb  Rb1  1  0.333  0.667  0.052  1.0
  Rb  Rb2  1  0.667  0.333  0.930  1.0
  Rb  Rb3  1  0.333  0.667  0.430  1.0
  W  W4  1  0.661  0.815  0.763  1.0
  W  W5  1  0.154  0.339  0.763  1.0
  W  W6  1  0.339  0.185  0.263  1.0
  W  W7  1  0.185  0.846  0.763  1.0
  W  W8  1  0.846  0.661  0.263  1.0
  W  W9  1  0.815  0.154  0.263  1.0
  Se  Se10  1  0.000  0.000  0.995  1.0
  Se  Se11  1  0.000  0.000  0.495  1.0
  O  O12  1  0.753  0.875  0.935  1.0
  O  O13  1  0.123  0.247  0.935  1.0
  O  O14  1  0.247  0.125  0.435  1.0
  O  O15  1  0.125  0.877  0.935  1.0
  O  O16  1  0.877  0.753  0.435  1.0
  O  O17  1  0.875  0.123  0.435  1.0
  O  O18  1  0.452  0.540  0.809  1.0
  O  O19  1  0.088  0.548  0.809  1.0
  O  O20  1  0.548  0.460  0.309  1.0
  O  O21  1  0.460  0.912  0.809  1.0
  O  O22  1  0.912  0.452  0.309  1.0
  O  O23  1  0.540  0.088  0.309  1.0
  O  O24  1  0.597  0.794  0.624  1.0
  O  O25  1  0.197  0.403  0.624  1.0
  O  O26  1  0.403  0.206  0.124  1.0
  O  O27  1  0.206  0.803  0.624  1.0
  O  O28  1  0.803  0.597  0.124  1.0
  O  O29  1  0.794  0.197  0.124  1.0
  O  O30  1  0.872  0.121  0.752  1.0
  O  O31  1  0.250  0.128  0.752  1.0
  O  O32  1  0.128  0.879  0.252  1.0
  O  O33  1  0.879  0.750  0.752  1.0
  O  O34  1  0.750  0.872  0.252  1.0
  O  O35  1  0.121  0.250  0.252  1.0
[/CIF]
.