The structure described by Cs2TlCl5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to two equivalent Cl(1), two equivalent Cl(3), two equivalent Cl(4), and four equivalent Cl(2) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to two equivalent Cl(1), two equivalent Cl(3), two equivalent Cl(4), and four equivalent Cl(2) atoms. Tl(1) is bonded to one Cl(3), one Cl(4), two equivalent Cl(1), and two equivalent Cl(2) atoms to form corner-sharing TlCl6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to two equivalent Cs(1), two equivalent Cs(2), and two equivalent Tl(1) atoms to form distorted ClCs4Tl2 octahedra that share corners with four equivalent Cl(3)Cs4Tl square pyramids, corners with four equivalent Cl(4)Cs4Tl trigonal bipyramids, faces with two equivalent Cl(1)Cs4Tl2 octahedra, faces with two equivalent Cl(3)Cs4Tl square pyramids, and faces with two equivalent Cl(4)Cs4Tl trigonal bipyramids. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one Tl(1) atom. In the third Cl site, Cl(3) is bonded to two equivalent Cs(1), two equivalent Cs(2), and one Tl(1) atom to form distorted ClCs4Tl square pyramids that share corners with four equivalent Cl(1)Cs4Tl2 octahedra, corners with four equivalent Cl(3)Cs4Tl square pyramids,  a cornercorner with one Cl(4)Cs4Tl trigonal bipyramid, edges with four equivalent Cl(4)Cs4Tl trigonal bipyramids, and faces with two equivalent Cl(1)Cs4Tl2 octahedra. The corner-sharing octahedral tilt angles range from 37-63°. In the fourth Cl site, Cl(4) is bonded to two equivalent Cs(1), two equivalent Cs(2), and one Tl(1) atom to form distorted ClCs4Tl trigonal bipyramids that share corners with four equivalent Cl(1)Cs4Tl2 octahedra,  a cornercorner with one Cl(3)Cs4Tl square pyramid, corners with four equivalent Cl(4)Cs4Tl trigonal bipyramids, edges with four equivalent Cl(3)Cs4Tl square pyramids, and faces with two equivalent Cl(1)Cs4Tl2 octahedra. The corner-sharing octahedral tilt angles range from 53-59°. is represented by the CIF card [CIF]
data_Cs2TlCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.530
_cell_length_b   9.418
_cell_length_c   15.071
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1068.836
_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
  Cs  Cs0  1  0.250  0.468  0.297  1.0
  Cs  Cs1  1  0.750  0.532  0.703  1.0
  Cs  Cs2  1  0.250  0.968  0.203  1.0
  Cs  Cs3  1  0.750  0.032  0.797  1.0
  Cs  Cs4  1  0.750  0.324  0.078  1.0
  Cs  Cs5  1  0.250  0.676  0.922  1.0
  Cs  Cs6  1  0.750  0.824  0.422  1.0
  Cs  Cs7  1  0.250  0.176  0.578  1.0
  Tl  Tl8  1  0.750  0.312  0.430  1.0
  Tl  Tl9  1  0.250  0.688  0.570  1.0
  Tl  Tl10  1  0.750  0.812  0.070  1.0
  Tl  Tl11  1  0.250  0.188  0.930  1.0
  Cl  Cl12  1  0.500  0.500  0.500  1.0
  Cl  Cl13  1  0.000  0.500  0.500  1.0
  Cl  Cl14  1  0.000  0.000  0.000  1.0
  Cl  Cl15  1  0.500  0.000  0.000  1.0
  Cl  Cl16  1  0.007  0.157  0.376  1.0
  Cl  Cl17  1  0.507  0.843  0.624  1.0
  Cl  Cl18  1  0.493  0.657  0.124  1.0
  Cl  Cl19  1  0.993  0.343  0.876  1.0
  Cl  Cl20  1  0.993  0.843  0.624  1.0
  Cl  Cl21  1  0.493  0.157  0.376  1.0
  Cl  Cl22  1  0.507  0.343  0.876  1.0
  Cl  Cl23  1  0.007  0.657  0.124  1.0
  Cl  Cl24  1  0.750  0.203  0.585  1.0
  Cl  Cl25  1  0.250  0.797  0.415  1.0
  Cl  Cl26  1  0.750  0.703  0.915  1.0
  Cl  Cl27  1  0.250  0.297  0.085  1.0
  Cl  Cl28  1  0.750  0.475  0.298  1.0
  Cl  Cl29  1  0.250  0.525  0.702  1.0
  Cl  Cl30  1  0.750  0.975  0.202  1.0
  Cl  Cl31  1  0.250  0.025  0.798  1.0
[/CIF]
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The structure described by Cs2TlCl5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to two equivalent Cl(1), two equivalent Cl(3), two equivalent Cl(4), and four equivalent Cl(2) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to two equivalent Cl(1), two equivalent Cl(3), two equivalent Cl(4), and four equivalent Cl(2) atoms. Tl(1) is bonded to one Cl(3), one Cl(4), two equivalent Cl(1), and two equivalent Cl(2) atoms to form corner-sharing TlCl6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to two equivalent Cs(1), two equivalent Cs(2), and two equivalent Tl(1) atoms to form distorted ClCs4Tl2 octahedra that share corners with four equivalent Cl(3)Cs4Tl square pyramids, corners with four equivalent Cl(4)Cs4Tl trigonal bipyramids, faces with two equivalent Cl(1)Cs4Tl2 octahedra, faces with two equivalent Cl(3)Cs4Tl square pyramids, and faces with two equivalent Cl(4)Cs4Tl trigonal bipyramids. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one Tl(1) atom. In the third Cl site, Cl(3) is bonded to two equivalent Cs(1), two equivalent Cs(2), and one Tl(1) atom to form distorted ClCs4Tl square pyramids that share corners with four equivalent Cl(1)Cs4Tl2 octahedra, corners with four equivalent Cl(3)Cs4Tl square pyramids,  a cornercorner with one Cl(4)Cs4Tl trigonal bipyramid, edges with four equivalent Cl(4)Cs4Tl trigonal bipyramids, and faces with two equivalent Cl(1)Cs4Tl2 octahedra. The corner-sharing octahedral tilt angles range from 37-63°. In the fourth Cl site, Cl(4) is bonded to two equivalent Cs(1), two equivalent Cs(2), and one Tl(1) atom to form distorted ClCs4Tl trigonal bipyramids that share corners with four equivalent Cl(1)Cs4Tl2 octahedra,  a cornercorner with one Cl(3)Cs4Tl square pyramid, corners with four equivalent Cl(4)Cs4Tl trigonal bipyramids, edges with four equivalent Cl(3)Cs4Tl square pyramids, and faces with two equivalent Cl(1)Cs4Tl2 octahedra. The corner-sharing octahedral tilt angles range from 53-59°. is represented by the CIF card [CIF]
data_Cs2TlCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.530
_cell_length_b   9.418
_cell_length_c   15.071
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1068.836
_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
  Cs  Cs0  1  0.250  0.468  0.297  1.0
  Cs  Cs1  1  0.750  0.532  0.703  1.0
  Cs  Cs2  1  0.250  0.968  0.203  1.0
  Cs  Cs3  1  0.750  0.032  0.797  1.0
  Cs  Cs4  1  0.750  0.324  0.078  1.0
  Cs  Cs5  1  0.250  0.676  0.922  1.0
  Cs  Cs6  1  0.750  0.824  0.422  1.0
  Cs  Cs7  1  0.250  0.176  0.578  1.0
  Tl  Tl8  1  0.750  0.312  0.430  1.0
  Tl  Tl9  1  0.250  0.688  0.570  1.0
  Tl  Tl10  1  0.750  0.812  0.070  1.0
  Tl  Tl11  1  0.250  0.188  0.930  1.0
  Cl  Cl12  1  0.500  0.500  0.500  1.0
  Cl  Cl13  1  0.000  0.500  0.500  1.0
  Cl  Cl14  1  0.000  0.000  0.000  1.0
  Cl  Cl15  1  0.500  0.000  0.000  1.0
  Cl  Cl16  1  0.007  0.157  0.376  1.0
  Cl  Cl17  1  0.507  0.843  0.624  1.0
  Cl  Cl18  1  0.493  0.657  0.124  1.0
  Cl  Cl19  1  0.993  0.343  0.876  1.0
  Cl  Cl20  1  0.993  0.843  0.624  1.0
  Cl  Cl21  1  0.493  0.157  0.376  1.0
  Cl  Cl22  1  0.507  0.343  0.876  1.0
  Cl  Cl23  1  0.007  0.657  0.124  1.0
  Cl  Cl24  1  0.750  0.203  0.585  1.0
  Cl  Cl25  1  0.250  0.797  0.415  1.0
  Cl  Cl26  1  0.750  0.703  0.915  1.0
  Cl  Cl27  1  0.250  0.297  0.085  1.0
  Cl  Cl28  1  0.750  0.475  0.298  1.0
  Cl  Cl29  1  0.250  0.525  0.702  1.0
  Cl  Cl30  1  0.750  0.975  0.202  1.0
  Cl  Cl31  1  0.250  0.025  0.798  1.0
[/CIF]
.