The material structure described by TlAg3Tl4(PS3)4 crystallizes in the monoclinic C2/c space group. The structure consists of four 7440-28-0 atoms inside a Ag3Tl4(PS3)4 framework. In the Ag3Tl4(PS3)4 framework, there are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to two equivalent S(2) and two equivalent S(5) atoms to form AgS4 tetrahedra that share corners with four equivalent P(2)PS3 tetrahedra. In the second Ag site, Ag(2) is bonded in a distorted see-saw-like geometry to one S(3), one S(4), one S(5), and one S(6) atom. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 5-coordinate geometry to one S(2), one S(3), one S(4), and two equivalent S(1) atoms. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one S(3) and two equivalent S(1) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a distorted tetrahedral geometry to one P(1), one S(1), one S(3), and one S(4) atom. In the second P site, P(2) is bonded to one P(2), one S(2), one S(5), and one S(6) atom to form distorted PPS3 tetrahedra that share corners with two equivalent Ag(1)S4 tetrahedra. There are six inequivalent S sites. In the first S site, S(5) is bonded in a 3-coordinate geometry to one Ag(1), one Ag(2), and one P(2) atom. In the second S site, S(6) is bonded in a water-like geometry to one Ag(2) and one P(2) atom. In the third S site, S(1) is bonded in a distorted single-bond geometry to two equivalent Tl(1), two equivalent Tl(2), and one P(1) atom. In the fourth S site, S(2) is bonded in a distorted water-like geometry to one Ag(1), one Tl(1), and one P(2) atom. In the fifth S site, S(3) is bonded in a distorted water-like geometry to one Ag(2), one Tl(1), one Tl(2), and one P(1) atom. In the sixth S site, S(4) is bonded in a distorted water-like geometry to one Ag(2), one Tl(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Tl5Ag3(PS3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.574
_cell_length_b   13.574
_cell_length_c   13.177
_cell_angle_alpha   71.082
_cell_angle_beta   71.082
_cell_angle_gamma   32.466
_symmetry_Int_Tables_number   1
_cell_volume   1226.767
_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
  Tl  Tl0  1  0.234  0.450  0.115  1.0
  Tl  Tl1  1  0.550  0.766  0.385  1.0
  Tl  Tl2  1  0.766  0.550  0.885  1.0
  Tl  Tl3  1  0.450  0.234  0.615  1.0
  Tl  Tl4  1  0.033  0.290  0.227  1.0
  Tl  Tl5  1  0.710  0.967  0.273  1.0
  Tl  Tl6  1  0.967  0.710  0.773  1.0
  Tl  Tl7  1  0.290  0.033  0.727  1.0
  Tl  Tl8  1  0.502  0.498  0.250  1.0
  Tl  Tl9  1  0.498  0.502  0.750  1.0
  Ag  Ag10  1  0.015  0.985  0.250  1.0
  Ag  Ag11  1  0.985  0.015  0.750  1.0
  Ag  Ag12  1  0.035  0.729  0.465  1.0
  Ag  Ag13  1  0.271  0.965  0.035  1.0
  Ag  Ag14  1  0.965  0.271  0.535  1.0
  Ag  Ag15  1  0.729  0.035  0.965  1.0
  P  P16  1  0.099  0.423  0.425  1.0
  P  P17  1  0.577  0.901  0.075  1.0
  P  P18  1  0.901  0.577  0.575  1.0
  P  P19  1  0.423  0.099  0.925  1.0
  P  P20  1  0.130  0.841  0.008  1.0
  P  P21  1  0.159  0.870  0.492  1.0
  P  P22  1  0.870  0.159  0.992  1.0
  P  P23  1  0.841  0.130  0.508  1.0
  S  S24  1  0.936  0.572  0.304  1.0
  S  S25  1  0.428  0.064  0.196  1.0
  S  S26  1  0.064  0.428  0.696  1.0
  S  S27  1  0.572  0.936  0.804  1.0
  S  S28  1  0.119  0.758  0.166  1.0
  S  S29  1  0.242  0.881  0.334  1.0
  S  S30  1  0.881  0.242  0.834  1.0
  S  S31  1  0.758  0.119  0.666  1.0
  S  S32  1  0.833  0.756  0.033  1.0
  S  S33  1  0.244  0.167  0.467  1.0
  S  S34  1  0.167  0.244  0.967  1.0
  S  S35  1  0.756  0.833  0.533  1.0
  S  S36  1  0.263  0.415  0.390  1.0
  S  S37  1  0.585  0.737  0.110  1.0
  S  S38  1  0.737  0.585  0.610  1.0
  S  S39  1  0.415  0.263  0.890  1.0
  S  S40  1  0.891  0.232  0.089  1.0
  S  S41  1  0.768  0.109  0.411  1.0
  S  S42  1  0.109  0.768  0.911  1.0
  S  S43  1  0.232  0.891  0.589  1.0
  S  S44  1  0.645  0.250  0.045  1.0
  S  S45  1  0.750  0.355  0.455  1.0
  S  S46  1  0.355  0.750  0.955  1.0
  S  S47  1  0.250  0.645  0.545  1.0
[/CIF]
.
The material structure described by TlAg3Tl4(PS3)4 crystallizes in the monoclinic C2/c space group. The structure consists of four 7440-28-0 atoms inside a Ag3Tl4(PS3)4 framework. In the Ag3Tl4(PS3)4 framework, there are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to two equivalent S(2) and two equivalent S(5) atoms to form AgS4 tetrahedra that share corners with four equivalent P(2)PS3 tetrahedra. In the second Ag site, Ag(2) is bonded in a distorted see-saw-like geometry to one S(3), one S(4), one S(5), and one S(6) atom. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 5-coordinate geometry to one S(2), one S(3), one S(4), and two equivalent S(1) atoms. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one S(3) and two equivalent S(1) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a distorted tetrahedral geometry to one P(1), one S(1), one S(3), and one S(4) atom. In the second P site, P(2) is bonded to one P(2), one S(2), one S(5), and one S(6) atom to form distorted PPS3 tetrahedra that share corners with two equivalent Ag(1)S4 tetrahedra. There are six inequivalent S sites. In the first S site, S(5) is bonded in a 3-coordinate geometry to one Ag(1), one Ag(2), and one P(2) atom. In the second S site, S(6) is bonded in a water-like geometry to one Ag(2) and one P(2) atom. In the third S site, S(1) is bonded in a distorted single-bond geometry to two equivalent Tl(1), two equivalent Tl(2), and one P(1) atom. In the fourth S site, S(2) is bonded in a distorted water-like geometry to one Ag(1), one Tl(1), and one P(2) atom. In the fifth S site, S(3) is bonded in a distorted water-like geometry to one Ag(2), one Tl(1), one Tl(2), and one P(1) atom. In the sixth S site, S(4) is bonded in a distorted water-like geometry to one Ag(2), one Tl(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Tl5Ag3(PS3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.574
_cell_length_b   13.574
_cell_length_c   13.177
_cell_angle_alpha   71.082
_cell_angle_beta   71.082
_cell_angle_gamma   32.466
_symmetry_Int_Tables_number   1
_cell_volume   1226.767
_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
  Tl  Tl0  1  0.234  0.450  0.115  1.0
  Tl  Tl1  1  0.550  0.766  0.385  1.0
  Tl  Tl2  1  0.766  0.550  0.885  1.0
  Tl  Tl3  1  0.450  0.234  0.615  1.0
  Tl  Tl4  1  0.033  0.290  0.227  1.0
  Tl  Tl5  1  0.710  0.967  0.273  1.0
  Tl  Tl6  1  0.967  0.710  0.773  1.0
  Tl  Tl7  1  0.290  0.033  0.727  1.0
  Tl  Tl8  1  0.502  0.498  0.250  1.0
  Tl  Tl9  1  0.498  0.502  0.750  1.0
  Ag  Ag10  1  0.015  0.985  0.250  1.0
  Ag  Ag11  1  0.985  0.015  0.750  1.0
  Ag  Ag12  1  0.035  0.729  0.465  1.0
  Ag  Ag13  1  0.271  0.965  0.035  1.0
  Ag  Ag14  1  0.965  0.271  0.535  1.0
  Ag  Ag15  1  0.729  0.035  0.965  1.0
  P  P16  1  0.099  0.423  0.425  1.0
  P  P17  1  0.577  0.901  0.075  1.0
  P  P18  1  0.901  0.577  0.575  1.0
  P  P19  1  0.423  0.099  0.925  1.0
  P  P20  1  0.130  0.841  0.008  1.0
  P  P21  1  0.159  0.870  0.492  1.0
  P  P22  1  0.870  0.159  0.992  1.0
  P  P23  1  0.841  0.130  0.508  1.0
  S  S24  1  0.936  0.572  0.304  1.0
  S  S25  1  0.428  0.064  0.196  1.0
  S  S26  1  0.064  0.428  0.696  1.0
  S  S27  1  0.572  0.936  0.804  1.0
  S  S28  1  0.119  0.758  0.166  1.0
  S  S29  1  0.242  0.881  0.334  1.0
  S  S30  1  0.881  0.242  0.834  1.0
  S  S31  1  0.758  0.119  0.666  1.0
  S  S32  1  0.833  0.756  0.033  1.0
  S  S33  1  0.244  0.167  0.467  1.0
  S  S34  1  0.167  0.244  0.967  1.0
  S  S35  1  0.756  0.833  0.533  1.0
  S  S36  1  0.263  0.415  0.390  1.0
  S  S37  1  0.585  0.737  0.110  1.0
  S  S38  1  0.737  0.585  0.610  1.0
  S  S39  1  0.415  0.263  0.890  1.0
  S  S40  1  0.891  0.232  0.089  1.0
  S  S41  1  0.768  0.109  0.411  1.0
  S  S42  1  0.109  0.768  0.911  1.0
  S  S43  1  0.232  0.891  0.589  1.0
  S  S44  1  0.645  0.250  0.045  1.0
  S  S45  1  0.750  0.355  0.455  1.0
  S  S46  1  0.355  0.750  0.955  1.0
  S  S47  1  0.250  0.645  0.545  1.0
[/CIF]
.