The structure described by Rb3BiSe3 crystallizes in the cubic P2_13 space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to six equivalent Se(1) atoms. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to six equivalent Se(1) atoms. In the third Rb site, Rb(3) is bonded in a 6-coordinate geometry to six equivalent Se(1) atoms. Bi(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Se(1) atoms. Se(1) is bonded to two equivalent Rb(1), two equivalent Rb(2), two equivalent Rb(3), and one Bi(1) atom to form a mixture of distorted edge, corner, and face-sharing SeRb6Bi pentagonal bipyramids. is represented by the CIF file [CIF]
data_Rb3BiSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.244
_cell_length_b   10.244
_cell_length_c   10.244
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1075.011
_cell_formula_units_Z   4
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  0.321  0.321  0.321  1.0
  Rb  Rb1  1  0.179  0.679  0.821  1.0
  Rb  Rb2  1  0.821  0.179  0.679  1.0
  Rb  Rb3  1  0.679  0.821  0.179  1.0
  Rb  Rb4  1  0.572  0.572  0.572  1.0
  Rb  Rb5  1  0.928  0.428  0.072  1.0
  Rb  Rb6  1  0.072  0.928  0.428  1.0
  Rb  Rb7  1  0.428  0.072  0.928  1.0
  Rb  Rb8  1  0.813  0.813  0.813  1.0
  Rb  Rb9  1  0.687  0.187  0.313  1.0
  Rb  Rb10  1  0.313  0.687  0.187  1.0
  Rb  Rb11  1  0.187  0.313  0.687  1.0
  Bi  Bi12  1  0.031  0.031  0.031  1.0
  Bi  Bi13  1  0.469  0.969  0.531  1.0
  Bi  Bi14  1  0.531  0.469  0.969  1.0
  Bi  Bi15  1  0.969  0.531  0.469  1.0
  Se  Se16  1  0.218  0.606  0.497  1.0
  Se  Se17  1  0.497  0.218  0.606  1.0
  Se  Se18  1  0.606  0.497  0.218  1.0
  Se  Se19  1  0.894  0.503  0.718  1.0
  Se  Se20  1  0.997  0.282  0.394  1.0
  Se  Se21  1  0.394  0.997  0.282  1.0
  Se  Se22  1  0.003  0.782  0.106  1.0
  Se  Se23  1  0.503  0.718  0.894  1.0
  Se  Se24  1  0.106  0.003  0.782  1.0
  Se  Se25  1  0.718  0.894  0.503  1.0
  Se  Se26  1  0.782  0.106  0.003  1.0
  Se  Se27  1  0.282  0.394  0.997  1.0
[/CIF]
.
The structure described by Rb3BiSe3 crystallizes in the cubic P2_13 space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to six equivalent Se(1) atoms. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to six equivalent Se(1) atoms. In the third Rb site, Rb(3) is bonded in a 6-coordinate geometry to six equivalent Se(1) atoms. Bi(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Se(1) atoms. Se(1) is bonded to two equivalent Rb(1), two equivalent Rb(2), two equivalent Rb(3), and one Bi(1) atom to form a mixture of distorted edge, corner, and face-sharing SeRb6Bi pentagonal bipyramids. is represented by the CIF file [CIF]
data_Rb3BiSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.244
_cell_length_b   10.244
_cell_length_c   10.244
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1075.011
_cell_formula_units_Z   4
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  0.321  0.321  0.321  1.0
  Rb  Rb1  1  0.179  0.679  0.821  1.0
  Rb  Rb2  1  0.821  0.179  0.679  1.0
  Rb  Rb3  1  0.679  0.821  0.179  1.0
  Rb  Rb4  1  0.572  0.572  0.572  1.0
  Rb  Rb5  1  0.928  0.428  0.072  1.0
  Rb  Rb6  1  0.072  0.928  0.428  1.0
  Rb  Rb7  1  0.428  0.072  0.928  1.0
  Rb  Rb8  1  0.813  0.813  0.813  1.0
  Rb  Rb9  1  0.687  0.187  0.313  1.0
  Rb  Rb10  1  0.313  0.687  0.187  1.0
  Rb  Rb11  1  0.187  0.313  0.687  1.0
  Bi  Bi12  1  0.031  0.031  0.031  1.0
  Bi  Bi13  1  0.469  0.969  0.531  1.0
  Bi  Bi14  1  0.531  0.469  0.969  1.0
  Bi  Bi15  1  0.969  0.531  0.469  1.0
  Se  Se16  1  0.218  0.606  0.497  1.0
  Se  Se17  1  0.497  0.218  0.606  1.0
  Se  Se18  1  0.606  0.497  0.218  1.0
  Se  Se19  1  0.894  0.503  0.718  1.0
  Se  Se20  1  0.997  0.282  0.394  1.0
  Se  Se21  1  0.394  0.997  0.282  1.0
  Se  Se22  1  0.003  0.782  0.106  1.0
  Se  Se23  1  0.503  0.718  0.894  1.0
  Se  Se24  1  0.106  0.003  0.782  1.0
  Se  Se25  1  0.718  0.894  0.503  1.0
  Se  Se26  1  0.782  0.106  0.003  1.0
  Se  Se27  1  0.282  0.394  0.997  1.0
[/CIF]
.