The material structure described by Rb3TlCl6 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 8-coordinate geometry to one Cl(1), one Cl(3), one Cl(5), one Cl(6), two equivalent Cl(2), and two equivalent Cl(4) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to one Cl(1), one Cl(2), one Cl(3), one Cl(6), two equivalent Cl(4), and two equivalent Cl(5) atoms. In the third Rb site, Rb(3) is bonded in a 9-coordinate geometry to one Cl(2), one Cl(5), two equivalent Cl(1), two equivalent Cl(3), and three equivalent Cl(6) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in an octahedral geometry to two equivalent Cl(1), two equivalent Cl(3), and two equivalent Cl(6) atoms. In the second Tl site, Tl(2) is bonded in an octahedral geometry to two equivalent Cl(2), two equivalent Cl(4), and two equivalent Cl(5) atoms. There are six inequivalent Cl sites. In the first Cl site, Cl(5) is bonded to one Rb(1), one Rb(3), two equivalent Rb(2), and one Tl(2) atom to form distorted ClRb4Tl trigonal bipyramids that share  a cornercorner with one Cl(6)Rb5Tl octahedra, corners with two equivalent Cl(3)Rb4Tl square pyramids, corners with three equivalent Cl(1)Rb4Tl square pyramids, corners with two equivalent Cl(4)Rb4Tl trigonal bipyramids, corners with three equivalent Cl(5)Rb4Tl trigonal bipyramids,  an edgeedge with one Cl(6)Rb5Tl octahedra,  an edgeedge with one Cl(1)Rb4Tl square pyramid, edges with three equivalent Cl(4)Rb4Tl trigonal bipyramids,  a faceface with one Cl(6)Rb5Tl octahedra, and  a faceface with one Cl(3)Rb4Tl square pyramid. The corner-sharing octahedral tilt angles are 22°. In the second Cl site, Cl(6) is bonded to one Rb(1), one Rb(2), three equivalent Rb(3), and one Tl(1) atom to form distorted ClRb5Tl octahedra that share corners with five equivalent Cl(6)Rb5Tl octahedra,  a cornercorner with one Cl(1)Rb4Tl square pyramid, corners with two equivalent Cl(3)Rb4Tl square pyramids,  a cornercorner with one Cl(5)Rb4Tl trigonal bipyramid, corners with two equivalent Cl(4)Rb4Tl trigonal bipyramids,  an edgeedge with one Cl(6)Rb5Tl octahedra,  an edgeedge with one Cl(3)Rb4Tl square pyramid, edges with three equivalent Cl(1)Rb4Tl square pyramids,  an edgeedge with one Cl(4)Rb4Tl trigonal bipyramid,  an edgeedge with one Cl(5)Rb4Tl trigonal bipyramid,  a faceface with one Cl(1)Rb4Tl square pyramid, faces with two equivalent Cl(3)Rb4Tl square pyramids, and  a faceface with one Cl(5)Rb4Tl trigonal bipyramid. The corner-sharing octahedral tilt angles range from 0-54°. In the third Cl site, Cl(1) is bonded to one Rb(1), one Rb(2), two equivalent Rb(3), and one Tl(1) atom to form distorted ClRb4Tl square pyramids that share  a cornercorner with one Cl(6)Rb5Tl octahedra,  a cornercorner with one Cl(3)Rb4Tl square pyramid, corners with three equivalent Cl(1)Rb4Tl square pyramids, corners with two equivalent Cl(4)Rb4Tl trigonal bipyramids, corners with three equivalent Cl(5)Rb4Tl trigonal bipyramids, edges with three equivalent Cl(6)Rb5Tl octahedra, edges with two equivalent Cl(3)Rb4Tl square pyramids,  an edgeedge with one Cl(4)Rb4Tl trigonal bipyramid,  an edgeedge with one Cl(5)Rb4Tl trigonal bipyramid,  a faceface with one Cl(6)Rb5Tl octahedra, and  a faceface with one Cl(3)Rb4Tl square pyramid. The corner-sharing octahedral tilt angles are 12°. In the fourth Cl site, Cl(2) is bonded in a 5-coordinate geometry to one Rb(2), one Rb(3), two equivalent Rb(1), and one Tl(2) atom. In the fifth Cl site, Cl(3) is bonded to one Rb(1), one Rb(2), two equivalent Rb(3), and one Tl(1) atom to form distorted ClRb4Tl square pyramids that share corners with two equivalent Cl(6)Rb5Tl octahedra,  a cornercorner with one Cl(1)Rb4Tl square pyramid, corners with three equivalent Cl(3)Rb4Tl square pyramids, corners with two equivalent Cl(5)Rb4Tl trigonal bipyramids, corners with four equivalent Cl(4)Rb4Tl trigonal bipyramids,  an edgeedge with one Cl(6)Rb5Tl octahedra, edges with two equivalent Cl(1)Rb4Tl square pyramids, faces with two equivalent Cl(6)Rb5Tl octahedra,  a faceface with one Cl(1)Rb4Tl square pyramid, and  a faceface with one Cl(5)Rb4Tl trigonal bipyramid. The corner-sharing octahedral tilt angles range from 48-53°. In the sixth Cl site, Cl(4) is bonded to two equivalent Rb(1), two equivalent Rb(2), and one Tl(2) atom to form distorted ClRb4Tl trigonal bipyramids that share corners with two equivalent Cl(6)Rb5Tl octahedra, corners with two equivalent Cl(1)Rb4Tl square pyramids, corners with four equivalent Cl(3)Rb4Tl square pyramids,  a cornercorner with one Cl(4)Rb4Tl trigonal bipyramid, corners with two equivalent Cl(5)Rb4Tl trigonal bipyramids,  an edgeedge with one Cl(6)Rb5Tl octahedra,  an edgeedge with one Cl(1)Rb4Tl square pyramid, edges with two equivalent Cl(4)Rb4Tl trigonal bipyramids, and edges with three equivalent Cl(5)Rb4Tl trigonal bipyramids. The corner-sharing octahedral tilt angles range from 21-45°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb3TlCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.962
_cell_length_b   12.611
_cell_length_c   13.315
_cell_angle_alpha   72.087
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1272.109
_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  0.564  0.263  0.184  1.0
  Rb  Rb1  1  0.064  0.237  0.816  1.0
  Rb  Rb2  1  0.436  0.737  0.816  1.0
  Rb  Rb3  1  0.936  0.763  0.184  1.0
  Rb  Rb4  1  0.068  0.116  0.181  1.0
  Rb  Rb5  1  0.568  0.384  0.819  1.0
  Rb  Rb6  1  0.932  0.884  0.819  1.0
  Rb  Rb7  1  0.432  0.616  0.181  1.0
  Rb  Rb8  1  0.047  0.358  0.405  1.0
  Rb  Rb9  1  0.547  0.142  0.595  1.0
  Rb  Rb10  1  0.953  0.642  0.595  1.0
  Rb  Rb11  1  0.453  0.858  0.405  1.0
  Tl  Tl12  1  0.500  0.500  0.500  1.0
  Tl  Tl13  1  1.000  0.000  0.500  1.0
  Tl  Tl14  1  0.500  0.000  1.000  1.0
  Tl  Tl15  1  1.000  0.500  1.000  1.0
  Cl  Cl16  1  0.813  0.150  0.371  1.0
  Cl  Cl17  1  0.313  0.350  0.629  1.0
  Cl  Cl18  1  0.187  0.850  0.629  1.0
  Cl  Cl19  1  0.687  0.650  0.371  1.0
  Cl  Cl20  1  0.700  0.007  0.152  1.0
  Cl  Cl21  1  0.200  0.493  0.848  1.0
  Cl  Cl22  1  0.300  0.993  0.848  1.0
  Cl  Cl23  1  0.800  0.507  0.152  1.0
  Cl  Cl24  1  0.000  0.123  0.621  1.0
  Cl  Cl25  1  0.500  0.377  0.379  1.0
  Cl  Cl26  1  1.000  0.877  0.379  1.0
  Cl  Cl27  1  0.500  0.623  0.621  1.0
  Cl  Cl28  1  0.361  0.190  0.999  1.0
  Cl  Cl29  1  0.861  0.310  0.001  1.0
  Cl  Cl30  1  0.639  0.810  0.001  1.0
  Cl  Cl31  1  0.139  0.690  0.999  1.0
  Cl  Cl32  1  0.208  0.394  0.150  1.0
  Cl  Cl33  1  0.708  0.106  0.850  1.0
  Cl  Cl34  1  0.792  0.606  0.850  1.0
  Cl  Cl35  1  0.292  0.894  0.150  1.0
  Cl  Cl36  1  0.225  0.604  0.401  1.0
  Cl  Cl37  1  0.725  0.896  0.599  1.0
  Cl  Cl38  1  0.775  0.396  0.599  1.0
  Cl  Cl39  1  0.275  0.104  0.401  1.0
[/CIF]
.
The material structure described by Rb3TlCl6 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 8-coordinate geometry to one Cl(1), one Cl(3), one Cl(5), one Cl(6), two equivalent Cl(2), and two equivalent Cl(4) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to one Cl(1), one Cl(2), one Cl(3), one Cl(6), two equivalent Cl(4), and two equivalent Cl(5) atoms. In the third Rb site, Rb(3) is bonded in a 9-coordinate geometry to one Cl(2), one Cl(5), two equivalent Cl(1), two equivalent Cl(3), and three equivalent Cl(6) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in an octahedral geometry to two equivalent Cl(1), two equivalent Cl(3), and two equivalent Cl(6) atoms. In the second Tl site, Tl(2) is bonded in an octahedral geometry to two equivalent Cl(2), two equivalent Cl(4), and two equivalent Cl(5) atoms. There are six inequivalent Cl sites. In the first Cl site, Cl(5) is bonded to one Rb(1), one Rb(3), two equivalent Rb(2), and one Tl(2) atom to form distorted ClRb4Tl trigonal bipyramids that share  a cornercorner with one Cl(6)Rb5Tl octahedra, corners with two equivalent Cl(3)Rb4Tl square pyramids, corners with three equivalent Cl(1)Rb4Tl square pyramids, corners with two equivalent Cl(4)Rb4Tl trigonal bipyramids, corners with three equivalent Cl(5)Rb4Tl trigonal bipyramids,  an edgeedge with one Cl(6)Rb5Tl octahedra,  an edgeedge with one Cl(1)Rb4Tl square pyramid, edges with three equivalent Cl(4)Rb4Tl trigonal bipyramids,  a faceface with one Cl(6)Rb5Tl octahedra, and  a faceface with one Cl(3)Rb4Tl square pyramid. The corner-sharing octahedral tilt angles are 22°. In the second Cl site, Cl(6) is bonded to one Rb(1), one Rb(2), three equivalent Rb(3), and one Tl(1) atom to form distorted ClRb5Tl octahedra that share corners with five equivalent Cl(6)Rb5Tl octahedra,  a cornercorner with one Cl(1)Rb4Tl square pyramid, corners with two equivalent Cl(3)Rb4Tl square pyramids,  a cornercorner with one Cl(5)Rb4Tl trigonal bipyramid, corners with two equivalent Cl(4)Rb4Tl trigonal bipyramids,  an edgeedge with one Cl(6)Rb5Tl octahedra,  an edgeedge with one Cl(3)Rb4Tl square pyramid, edges with three equivalent Cl(1)Rb4Tl square pyramids,  an edgeedge with one Cl(4)Rb4Tl trigonal bipyramid,  an edgeedge with one Cl(5)Rb4Tl trigonal bipyramid,  a faceface with one Cl(1)Rb4Tl square pyramid, faces with two equivalent Cl(3)Rb4Tl square pyramids, and  a faceface with one Cl(5)Rb4Tl trigonal bipyramid. The corner-sharing octahedral tilt angles range from 0-54°. In the third Cl site, Cl(1) is bonded to one Rb(1), one Rb(2), two equivalent Rb(3), and one Tl(1) atom to form distorted ClRb4Tl square pyramids that share  a cornercorner with one Cl(6)Rb5Tl octahedra,  a cornercorner with one Cl(3)Rb4Tl square pyramid, corners with three equivalent Cl(1)Rb4Tl square pyramids, corners with two equivalent Cl(4)Rb4Tl trigonal bipyramids, corners with three equivalent Cl(5)Rb4Tl trigonal bipyramids, edges with three equivalent Cl(6)Rb5Tl octahedra, edges with two equivalent Cl(3)Rb4Tl square pyramids,  an edgeedge with one Cl(4)Rb4Tl trigonal bipyramid,  an edgeedge with one Cl(5)Rb4Tl trigonal bipyramid,  a faceface with one Cl(6)Rb5Tl octahedra, and  a faceface with one Cl(3)Rb4Tl square pyramid. The corner-sharing octahedral tilt angles are 12°. In the fourth Cl site, Cl(2) is bonded in a 5-coordinate geometry to one Rb(2), one Rb(3), two equivalent Rb(1), and one Tl(2) atom. In the fifth Cl site, Cl(3) is bonded to one Rb(1), one Rb(2), two equivalent Rb(3), and one Tl(1) atom to form distorted ClRb4Tl square pyramids that share corners with two equivalent Cl(6)Rb5Tl octahedra,  a cornercorner with one Cl(1)Rb4Tl square pyramid, corners with three equivalent Cl(3)Rb4Tl square pyramids, corners with two equivalent Cl(5)Rb4Tl trigonal bipyramids, corners with four equivalent Cl(4)Rb4Tl trigonal bipyramids,  an edgeedge with one Cl(6)Rb5Tl octahedra, edges with two equivalent Cl(1)Rb4Tl square pyramids, faces with two equivalent Cl(6)Rb5Tl octahedra,  a faceface with one Cl(1)Rb4Tl square pyramid, and  a faceface with one Cl(5)Rb4Tl trigonal bipyramid. The corner-sharing octahedral tilt angles range from 48-53°. In the sixth Cl site, Cl(4) is bonded to two equivalent Rb(1), two equivalent Rb(2), and one Tl(2) atom to form distorted ClRb4Tl trigonal bipyramids that share corners with two equivalent Cl(6)Rb5Tl octahedra, corners with two equivalent Cl(1)Rb4Tl square pyramids, corners with four equivalent Cl(3)Rb4Tl square pyramids,  a cornercorner with one Cl(4)Rb4Tl trigonal bipyramid, corners with two equivalent Cl(5)Rb4Tl trigonal bipyramids,  an edgeedge with one Cl(6)Rb5Tl octahedra,  an edgeedge with one Cl(1)Rb4Tl square pyramid, edges with two equivalent Cl(4)Rb4Tl trigonal bipyramids, and edges with three equivalent Cl(5)Rb4Tl trigonal bipyramids. The corner-sharing octahedral tilt angles range from 21-45°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb3TlCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.962
_cell_length_b   12.611
_cell_length_c   13.315
_cell_angle_alpha   72.087
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1272.109
_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  0.564  0.263  0.184  1.0
  Rb  Rb1  1  0.064  0.237  0.816  1.0
  Rb  Rb2  1  0.436  0.737  0.816  1.0
  Rb  Rb3  1  0.936  0.763  0.184  1.0
  Rb  Rb4  1  0.068  0.116  0.181  1.0
  Rb  Rb5  1  0.568  0.384  0.819  1.0
  Rb  Rb6  1  0.932  0.884  0.819  1.0
  Rb  Rb7  1  0.432  0.616  0.181  1.0
  Rb  Rb8  1  0.047  0.358  0.405  1.0
  Rb  Rb9  1  0.547  0.142  0.595  1.0
  Rb  Rb10  1  0.953  0.642  0.595  1.0
  Rb  Rb11  1  0.453  0.858  0.405  1.0
  Tl  Tl12  1  0.500  0.500  0.500  1.0
  Tl  Tl13  1  1.000  0.000  0.500  1.0
  Tl  Tl14  1  0.500  0.000  1.000  1.0
  Tl  Tl15  1  1.000  0.500  1.000  1.0
  Cl  Cl16  1  0.813  0.150  0.371  1.0
  Cl  Cl17  1  0.313  0.350  0.629  1.0
  Cl  Cl18  1  0.187  0.850  0.629  1.0
  Cl  Cl19  1  0.687  0.650  0.371  1.0
  Cl  Cl20  1  0.700  0.007  0.152  1.0
  Cl  Cl21  1  0.200  0.493  0.848  1.0
  Cl  Cl22  1  0.300  0.993  0.848  1.0
  Cl  Cl23  1  0.800  0.507  0.152  1.0
  Cl  Cl24  1  0.000  0.123  0.621  1.0
  Cl  Cl25  1  0.500  0.377  0.379  1.0
  Cl  Cl26  1  1.000  0.877  0.379  1.0
  Cl  Cl27  1  0.500  0.623  0.621  1.0
  Cl  Cl28  1  0.361  0.190  0.999  1.0
  Cl  Cl29  1  0.861  0.310  0.001  1.0
  Cl  Cl30  1  0.639  0.810  0.001  1.0
  Cl  Cl31  1  0.139  0.690  0.999  1.0
  Cl  Cl32  1  0.208  0.394  0.150  1.0
  Cl  Cl33  1  0.708  0.106  0.850  1.0
  Cl  Cl34  1  0.792  0.606  0.850  1.0
  Cl  Cl35  1  0.292  0.894  0.150  1.0
  Cl  Cl36  1  0.225  0.604  0.401  1.0
  Cl  Cl37  1  0.725  0.896  0.599  1.0
  Cl  Cl38  1  0.775  0.396  0.599  1.0
  Cl  Cl39  1  0.275  0.104  0.401  1.0
[/CIF]
.