The compound described by Rb3AsSe16 crystallizes in the cubic Fd-3 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a q6 geometry to twelve equivalent Se(1) atoms. In the second Rb site, Rb(2) is bonded in a 14-coordinate geometry to two equivalent As(1), six equivalent Se(1), and six equivalent Se(2) atoms. As(1) is bonded to four equivalent Rb(2) and four equivalent Se(2) atoms to form AsRb4Se4 tetrahedra that share corners with four equivalent As(1)Rb4Se4 tetrahedra and corners with twenty-four equivalent Se(1)Rb2Se2 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one Rb(1), one Rb(2), and two equivalent Se(1) atoms to form distorted SeRb2Se2 tetrahedra that share corners with two equivalent As(1)Rb4Se4 tetrahedra, corners with fourteen equivalent Se(1)Rb2Se2 tetrahedra, and edges with two equivalent Se(1)Rb2Se2 tetrahedra. In the second Se site, Se(2) is bonded in a distorted single-bond geometry to three equivalent Rb(2) and one As(1) atom. is represented by the CIF file [CIF]
data_Rb3AsSe16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.979
_cell_length_b   11.979
_cell_length_c   11.981
_cell_angle_alpha   60.001
_cell_angle_beta   60.002
_cell_angle_gamma   59.996
_symmetry_Int_Tables_number   1
_cell_volume   1215.742
_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  0.500  0.500  0.500  1.0
  Rb  Rb1  1  0.750  0.750  0.750  1.0
  Rb  Rb2  1  0.125  0.125  0.125  1.0
  Rb  Rb3  1  0.125  0.125  0.625  1.0
  Rb  Rb4  1  0.125  0.625  0.125  1.0
  Rb  Rb5  1  0.625  0.125  0.125  1.0
  As  As6  1  0.250  0.250  0.250  1.0
  As  As7  1  0.000  0.000  1.000  1.0
  Se  Se8  1  0.796  0.177  0.592  1.0
  Se  Se9  1  0.436  0.796  0.592  1.0
  Se  Se10  1  0.592  0.796  0.177  1.0
  Se  Se11  1  0.592  0.177  0.436  1.0
  Se  Se12  1  0.592  0.436  0.796  1.0
  Se  Se13  1  0.436  0.592  0.177  1.0
  Se  Se14  1  0.329  0.329  0.012  1.0
  Se  Se15  1  0.012  0.329  0.330  1.0
  Se  Se16  1  0.329  0.012  0.329  1.0
  Se  Se17  1  0.329  0.329  0.329  1.0
  Se  Se18  1  0.921  0.921  0.238  1.0
  Se  Se19  1  0.238  0.921  0.920  1.0
  Se  Se20  1  0.921  0.238  0.921  1.0
  Se  Se21  1  0.921  0.921  0.921  1.0
  Se  Se22  1  0.073  0.454  0.814  1.0
  Se  Se23  1  0.814  0.073  0.454  1.0
  Se  Se24  1  0.454  0.814  0.073  1.0
  Se  Se25  1  0.073  0.658  0.454  1.0
  Se  Se26  1  0.073  0.814  0.658  1.0
  Se  Se27  1  0.454  0.658  0.814  1.0
  Se  Se28  1  0.658  0.073  0.814  1.0
  Se  Se29  1  0.658  0.454  0.073  1.0
  Se  Se30  1  0.814  0.454  0.658  1.0
  Se  Se31  1  0.454  0.073  0.658  1.0
  Se  Se32  1  0.814  0.658  0.073  1.0
  Se  Se33  1  0.658  0.814  0.454  1.0
  Se  Se34  1  0.177  0.796  0.436  1.0
  Se  Se35  1  0.436  0.177  0.796  1.0
  Se  Se36  1  0.796  0.436  0.177  1.0
  Se  Se37  1  0.177  0.592  0.796  1.0
  Se  Se38  1  0.177  0.436  0.592  1.0
  Se  Se39  1  0.796  0.592  0.436  1.0
[/CIF]
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The compound described by Rb3AsSe16 crystallizes in the cubic Fd-3 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a q6 geometry to twelve equivalent Se(1) atoms. In the second Rb site, Rb(2) is bonded in a 14-coordinate geometry to two equivalent As(1), six equivalent Se(1), and six equivalent Se(2) atoms. As(1) is bonded to four equivalent Rb(2) and four equivalent Se(2) atoms to form AsRb4Se4 tetrahedra that share corners with four equivalent As(1)Rb4Se4 tetrahedra and corners with twenty-four equivalent Se(1)Rb2Se2 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one Rb(1), one Rb(2), and two equivalent Se(1) atoms to form distorted SeRb2Se2 tetrahedra that share corners with two equivalent As(1)Rb4Se4 tetrahedra, corners with fourteen equivalent Se(1)Rb2Se2 tetrahedra, and edges with two equivalent Se(1)Rb2Se2 tetrahedra. In the second Se site, Se(2) is bonded in a distorted single-bond geometry to three equivalent Rb(2) and one As(1) atom. is represented by the CIF file [CIF]
data_Rb3AsSe16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.979
_cell_length_b   11.979
_cell_length_c   11.981
_cell_angle_alpha   60.001
_cell_angle_beta   60.002
_cell_angle_gamma   59.996
_symmetry_Int_Tables_number   1
_cell_volume   1215.742
_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  0.500  0.500  0.500  1.0
  Rb  Rb1  1  0.750  0.750  0.750  1.0
  Rb  Rb2  1  0.125  0.125  0.125  1.0
  Rb  Rb3  1  0.125  0.125  0.625  1.0
  Rb  Rb4  1  0.125  0.625  0.125  1.0
  Rb  Rb5  1  0.625  0.125  0.125  1.0
  As  As6  1  0.250  0.250  0.250  1.0
  As  As7  1  0.000  0.000  1.000  1.0
  Se  Se8  1  0.796  0.177  0.592  1.0
  Se  Se9  1  0.436  0.796  0.592  1.0
  Se  Se10  1  0.592  0.796  0.177  1.0
  Se  Se11  1  0.592  0.177  0.436  1.0
  Se  Se12  1  0.592  0.436  0.796  1.0
  Se  Se13  1  0.436  0.592  0.177  1.0
  Se  Se14  1  0.329  0.329  0.012  1.0
  Se  Se15  1  0.012  0.329  0.330  1.0
  Se  Se16  1  0.329  0.012  0.329  1.0
  Se  Se17  1  0.329  0.329  0.329  1.0
  Se  Se18  1  0.921  0.921  0.238  1.0
  Se  Se19  1  0.238  0.921  0.920  1.0
  Se  Se20  1  0.921  0.238  0.921  1.0
  Se  Se21  1  0.921  0.921  0.921  1.0
  Se  Se22  1  0.073  0.454  0.814  1.0
  Se  Se23  1  0.814  0.073  0.454  1.0
  Se  Se24  1  0.454  0.814  0.073  1.0
  Se  Se25  1  0.073  0.658  0.454  1.0
  Se  Se26  1  0.073  0.814  0.658  1.0
  Se  Se27  1  0.454  0.658  0.814  1.0
  Se  Se28  1  0.658  0.073  0.814  1.0
  Se  Se29  1  0.658  0.454  0.073  1.0
  Se  Se30  1  0.814  0.454  0.658  1.0
  Se  Se31  1  0.454  0.073  0.658  1.0
  Se  Se32  1  0.814  0.658  0.073  1.0
  Se  Se33  1  0.658  0.814  0.454  1.0
  Se  Se34  1  0.177  0.796  0.436  1.0
  Se  Se35  1  0.436  0.177  0.796  1.0
  Se  Se36  1  0.796  0.436  0.177  1.0
  Se  Se37  1  0.177  0.592  0.796  1.0
  Se  Se38  1  0.177  0.436  0.592  1.0
  Se  Se39  1  0.796  0.592  0.436  1.0
[/CIF]
.