The material described by Zr(TlS)4 crystallizes in the triclinic P-1 space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one S(1), one S(10), one S(6), one S(8), and two equivalent S(2) atoms to form edge-sharing ZrS6 octahedra. In the second Zr site, Zr(2) is bonded to one S(10), one S(3), one S(4), one S(5), one S(6), and one S(7) atom to form edge-sharing ZrS6 octahedra. In the third Zr site, Zr(3) is bonded to two equivalent S(3), two equivalent S(4), and two equivalent S(9) atoms to form edge-sharing ZrS6 octahedra. There are ten inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 3-coordinate geometry to one S(1), one S(10), and one S(5) atom. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one S(2), one S(6), and one S(8) atom. In the third Tl site, Tl(3) is bonded in a 4-coordinate geometry to one S(2), one S(8), and two equivalent S(1) atoms. In the fourth Tl site, Tl(4) is bonded in a 3-coordinate geometry to one S(10), one S(2), one S(4), and one S(9) atom. In the fifth Tl site, Tl(5) is bonded in a distorted T-shaped geometry to one S(1), one S(5), and one S(6) atom. In the sixth Tl site, Tl(6) is bonded in a 3-coordinate geometry to one S(4), one S(7), and one S(9) atom. In the seventh Tl site, Tl(7) is bonded in a 3-coordinate geometry to one S(2), one S(7), and one S(8) atom. In the eighth Tl site, Tl(8) is bonded in a 4-coordinate geometry to one S(10), one S(5), one S(7), and one S(8) atom. In the ninth Tl site, Tl(9) is bonded in a 3-coordinate geometry to one S(3), one S(7), and one S(9) atom. In the tenth Tl site, Tl(10) is bonded in a 3-coordinate geometry to one S(10), one S(3), one S(5), and one S(9) atom. There are ten inequivalent S sites. In the first S site, S(1) is bonded to one Zr(1), one Tl(1), one Tl(5), and two equivalent Tl(3) atoms to form distorted edge-sharing SZrTl4 square pyramids. In the second S site, S(2) is bonded in a 6-coordinate geometry to two equivalent Zr(1), one Tl(2), one Tl(3), one Tl(4), and one Tl(7) atom. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Zr(2), one Zr(3), one Tl(10), and one Tl(9) atom. In the fourth S site, S(4) is bonded to one Zr(2), one Zr(3), one Tl(4), and one Tl(6) atom to form distorted SZr2Tl2 trigonal pyramids that share  a cornercorner with one S(4)Zr2Tl2 trigonal pyramid,  an edgeedge with one S(7)ZrTl4 square pyramid, and edges with two equivalent S(9)ZrTl4 square pyramids. In the fifth S site, S(5) is bonded in a 5-coordinate geometry to one Zr(2), one Tl(1), one Tl(10), one Tl(5), and one Tl(8) atom. In the sixth S site, S(6) is bonded in a 4-coordinate geometry to one Zr(1), one Zr(2), one Tl(2), and one Tl(5) atom. In the seventh S site, S(7) is bonded to one Zr(2), one Tl(6), one Tl(7), one Tl(8), and one Tl(9) atom to form distorted SZrTl4 square pyramids that share  an edgeedge with one S(9)ZrTl4 square pyramid and  an edgeedge with one S(4)Zr2Tl2 trigonal pyramid. In the eighth S site, S(8) is bonded in a 5-coordinate geometry to one Zr(1), one Tl(2), one Tl(3), one Tl(7), and one Tl(8) atom. In the ninth S site, S(9) is bonded to one Zr(3), one Tl(10), one Tl(4), one Tl(6), and one Tl(9) atom to form distorted SZrTl4 square pyramids that share  a cornercorner with one S(9)ZrTl4 square pyramid,  an edgeedge with one S(7)ZrTl4 square pyramid, and edges with two equivalent S(4)Zr2Tl2 trigonal pyramids. In the tenth S site, S(10) is bonded in a 6-coordinate geometry to one Zr(1), one Zr(2), one Tl(1), one Tl(10), one Tl(4), and one Tl(8) atom. is represented by the CIF file [CIF]
data_Zr(TlS)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.178
_cell_length_b   9.178
_cell_length_c   15.673
_cell_angle_alpha   103.853
_cell_angle_beta   104.929
_cell_angle_gamma   90.047
_symmetry_Int_Tables_number   1
_cell_volume   1235.755
_cell_formula_units_Z   5
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
  Zr  Zr0  1  0.984  0.318  0.401  1.0
  Zr  Zr1  1  0.016  0.682  0.599  1.0
  Zr  Zr2  1  0.825  0.691  0.801  1.0
  Zr  Zr3  1  0.175  0.309  0.199  1.0
  Zr  Zr4  1  0.000  0.500  0.000  1.0
  Tl  Tl5  1  0.956  0.921  0.200  1.0
  Tl  Tl6  1  0.044  0.079  0.800  1.0
  Tl  Tl7  1  0.785  0.281  0.599  1.0
  Tl  Tl8  1  0.215  0.719  0.401  1.0
  Tl  Tl9  1  0.783  0.913  0.403  1.0
  Tl  Tl10  1  0.217  0.087  0.597  1.0
  Tl  Tl11  1  0.777  0.546  0.203  1.0
  Tl  Tl12  1  0.223  0.454  0.797  1.0
  Tl  Tl13  1  0.624  0.902  0.610  1.0
  Tl  Tl14  1  0.376  0.098  0.390  1.0
  Tl  Tl15  1  0.613  0.299  0.809  1.0
  Tl  Tl16  1  0.387  0.701  0.191  1.0
  Tl  Tl17  1  0.587  0.533  0.401  1.0
  Tl  Tl18  1  0.413  0.467  0.599  1.0
  Tl  Tl19  1  0.418  0.895  0.798  1.0
  Tl  Tl20  1  0.582  0.105  0.202  1.0
  Tl  Tl21  1  0.392  0.284  0.001  1.0
  Tl  Tl22  1  0.608  0.716  0.999  1.0
  Tl  Tl23  1  0.222  0.897  0.993  1.0
  Tl  Tl24  1  0.778  0.103  0.007  1.0
  S  S25  1  0.937  0.946  0.596  1.0
  S  S26  1  0.063  0.054  0.404  1.0
  S  S27  1  0.932  0.605  0.422  1.0
  S  S28  1  0.068  0.395  0.578  1.0
  S  S29  1  0.927  0.765  0.979  1.0
  S  S30  1  0.073  0.235  0.021  1.0
  S  S31  1  0.912  0.420  0.822  1.0
  S  S32  1  0.088  0.580  0.178  1.0
  S  S33  1  0.761  0.959  0.805  1.0
  S  S34  1  0.239  0.041  0.195  1.0
  S  S35  1  0.749  0.613  0.623  1.0
  S  S36  1  0.251  0.387  0.377  1.0
  S  S37  1  0.560  0.618  0.803  1.0
  S  S38  1  0.440  0.382  0.197  1.0
  S  S39  1  0.285  0.752  0.604  1.0
  S  S40  1  0.715  0.248  0.396  1.0
  S  S41  1  0.271  0.571  0.997  1.0
  S  S42  1  0.729  0.429  0.003  1.0
  S  S43  1  0.094  0.737  0.776  1.0
  S  S44  1  0.906  0.263  0.224  1.0
[/CIF]
.
The material described by Zr(TlS)4 crystallizes in the triclinic P-1 space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one S(1), one S(10), one S(6), one S(8), and two equivalent S(2) atoms to form edge-sharing ZrS6 octahedra. In the second Zr site, Zr(2) is bonded to one S(10), one S(3), one S(4), one S(5), one S(6), and one S(7) atom to form edge-sharing ZrS6 octahedra. In the third Zr site, Zr(3) is bonded to two equivalent S(3), two equivalent S(4), and two equivalent S(9) atoms to form edge-sharing ZrS6 octahedra. There are ten inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 3-coordinate geometry to one S(1), one S(10), and one S(5) atom. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one S(2), one S(6), and one S(8) atom. In the third Tl site, Tl(3) is bonded in a 4-coordinate geometry to one S(2), one S(8), and two equivalent S(1) atoms. In the fourth Tl site, Tl(4) is bonded in a 3-coordinate geometry to one S(10), one S(2), one S(4), and one S(9) atom. In the fifth Tl site, Tl(5) is bonded in a distorted T-shaped geometry to one S(1), one S(5), and one S(6) atom. In the sixth Tl site, Tl(6) is bonded in a 3-coordinate geometry to one S(4), one S(7), and one S(9) atom. In the seventh Tl site, Tl(7) is bonded in a 3-coordinate geometry to one S(2), one S(7), and one S(8) atom. In the eighth Tl site, Tl(8) is bonded in a 4-coordinate geometry to one S(10), one S(5), one S(7), and one S(8) atom. In the ninth Tl site, Tl(9) is bonded in a 3-coordinate geometry to one S(3), one S(7), and one S(9) atom. In the tenth Tl site, Tl(10) is bonded in a 3-coordinate geometry to one S(10), one S(3), one S(5), and one S(9) atom. There are ten inequivalent S sites. In the first S site, S(1) is bonded to one Zr(1), one Tl(1), one Tl(5), and two equivalent Tl(3) atoms to form distorted edge-sharing SZrTl4 square pyramids. In the second S site, S(2) is bonded in a 6-coordinate geometry to two equivalent Zr(1), one Tl(2), one Tl(3), one Tl(4), and one Tl(7) atom. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Zr(2), one Zr(3), one Tl(10), and one Tl(9) atom. In the fourth S site, S(4) is bonded to one Zr(2), one Zr(3), one Tl(4), and one Tl(6) atom to form distorted SZr2Tl2 trigonal pyramids that share  a cornercorner with one S(4)Zr2Tl2 trigonal pyramid,  an edgeedge with one S(7)ZrTl4 square pyramid, and edges with two equivalent S(9)ZrTl4 square pyramids. In the fifth S site, S(5) is bonded in a 5-coordinate geometry to one Zr(2), one Tl(1), one Tl(10), one Tl(5), and one Tl(8) atom. In the sixth S site, S(6) is bonded in a 4-coordinate geometry to one Zr(1), one Zr(2), one Tl(2), and one Tl(5) atom. In the seventh S site, S(7) is bonded to one Zr(2), one Tl(6), one Tl(7), one Tl(8), and one Tl(9) atom to form distorted SZrTl4 square pyramids that share  an edgeedge with one S(9)ZrTl4 square pyramid and  an edgeedge with one S(4)Zr2Tl2 trigonal pyramid. In the eighth S site, S(8) is bonded in a 5-coordinate geometry to one Zr(1), one Tl(2), one Tl(3), one Tl(7), and one Tl(8) atom. In the ninth S site, S(9) is bonded to one Zr(3), one Tl(10), one Tl(4), one Tl(6), and one Tl(9) atom to form distorted SZrTl4 square pyramids that share  a cornercorner with one S(9)ZrTl4 square pyramid,  an edgeedge with one S(7)ZrTl4 square pyramid, and edges with two equivalent S(4)Zr2Tl2 trigonal pyramids. In the tenth S site, S(10) is bonded in a 6-coordinate geometry to one Zr(1), one Zr(2), one Tl(1), one Tl(10), one Tl(4), and one Tl(8) atom. is represented by the CIF file [CIF]
data_Zr(TlS)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.178
_cell_length_b   9.178
_cell_length_c   15.673
_cell_angle_alpha   103.853
_cell_angle_beta   104.929
_cell_angle_gamma   90.047
_symmetry_Int_Tables_number   1
_cell_volume   1235.755
_cell_formula_units_Z   5
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
  Zr  Zr0  1  0.984  0.318  0.401  1.0
  Zr  Zr1  1  0.016  0.682  0.599  1.0
  Zr  Zr2  1  0.825  0.691  0.801  1.0
  Zr  Zr3  1  0.175  0.309  0.199  1.0
  Zr  Zr4  1  0.000  0.500  0.000  1.0
  Tl  Tl5  1  0.956  0.921  0.200  1.0
  Tl  Tl6  1  0.044  0.079  0.800  1.0
  Tl  Tl7  1  0.785  0.281  0.599  1.0
  Tl  Tl8  1  0.215  0.719  0.401  1.0
  Tl  Tl9  1  0.783  0.913  0.403  1.0
  Tl  Tl10  1  0.217  0.087  0.597  1.0
  Tl  Tl11  1  0.777  0.546  0.203  1.0
  Tl  Tl12  1  0.223  0.454  0.797  1.0
  Tl  Tl13  1  0.624  0.902  0.610  1.0
  Tl  Tl14  1  0.376  0.098  0.390  1.0
  Tl  Tl15  1  0.613  0.299  0.809  1.0
  Tl  Tl16  1  0.387  0.701  0.191  1.0
  Tl  Tl17  1  0.587  0.533  0.401  1.0
  Tl  Tl18  1  0.413  0.467  0.599  1.0
  Tl  Tl19  1  0.418  0.895  0.798  1.0
  Tl  Tl20  1  0.582  0.105  0.202  1.0
  Tl  Tl21  1  0.392  0.284  0.001  1.0
  Tl  Tl22  1  0.608  0.716  0.999  1.0
  Tl  Tl23  1  0.222  0.897  0.993  1.0
  Tl  Tl24  1  0.778  0.103  0.007  1.0
  S  S25  1  0.937  0.946  0.596  1.0
  S  S26  1  0.063  0.054  0.404  1.0
  S  S27  1  0.932  0.605  0.422  1.0
  S  S28  1  0.068  0.395  0.578  1.0
  S  S29  1  0.927  0.765  0.979  1.0
  S  S30  1  0.073  0.235  0.021  1.0
  S  S31  1  0.912  0.420  0.822  1.0
  S  S32  1  0.088  0.580  0.178  1.0
  S  S33  1  0.761  0.959  0.805  1.0
  S  S34  1  0.239  0.041  0.195  1.0
  S  S35  1  0.749  0.613  0.623  1.0
  S  S36  1  0.251  0.387  0.377  1.0
  S  S37  1  0.560  0.618  0.803  1.0
  S  S38  1  0.440  0.382  0.197  1.0
  S  S39  1  0.285  0.752  0.604  1.0
  S  S40  1  0.715  0.248  0.396  1.0
  S  S41  1  0.271  0.571  0.997  1.0
  S  S42  1  0.729  0.429  0.003  1.0
  S  S43  1  0.094  0.737  0.776  1.0
  S  S44  1  0.906  0.263  0.224  1.0
[/CIF]
.