The material described by TlTl3(PbCl3)4 crystallizes in the orthorhombic Fmm2 space group. The structure consists of eight 7440-28-0 atoms inside a Tl3(PbCl3)4 framework. In the Tl3(PbCl3)4 framework, there are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted L-shaped geometry to one Cl(3) and one Cl(6) atom. In the second Tl site, Tl(2) is bonded in a 2-coordinate geometry to one Cl(4) and one Cl(5) atom. There are five inequivalent Pb sites. In the first Pb site, Pb(2) is bonded in a 7-coordinate geometry to one Cl(9), two equivalent Cl(5), and four equivalent Cl(1) atoms. In the second Pb site, Pb(1) is bonded in a 8-coordinate geometry to two equivalent Cl(1), two equivalent Cl(2), two equivalent Cl(7), and two equivalent Cl(8) atoms. In the third Pb site, Pb(3) is bonded in a 7-coordinate geometry to one Cl(4), two equivalent Cl(2), two equivalent Cl(6), and two equivalent Cl(7) atoms. In the fourth Pb site, Pb(4) is bonded in a 6-coordinate geometry to one Cl(6), one Cl(9), two equivalent Cl(1), and two equivalent Cl(7) atoms. In the fifth Pb site, Pb(5) is bonded in a 7-coordinate geometry to one Cl(3), two equivalent Cl(5), and four equivalent Cl(8) atoms. There are nine inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted T-shaped geometry to one Pb(1), one Pb(2), and one Pb(4) atom. In the second Cl site, Cl(2) is bonded in a 2-coordinate geometry to one Pb(1) and one Pb(3) atom. In the third Cl site, Cl(3) is bonded in a T-shaped geometry to two equivalent Tl(1) and one Pb(5) atom. In the fourth Cl site, Cl(4) is bonded in a T-shaped geometry to two equivalent Tl(2) and one Pb(3) atom. In the fifth Cl site, Cl(5) is bonded to two equivalent Tl(2), one Pb(2), and one Pb(5) atom to form edge-sharing ClTl2Pb2 tetrahedra. In the sixth Cl site, Cl(6) is bonded in a distorted bent 150 degrees geometry to one Tl(1), one Pb(4), and two equivalent Pb(3) atoms. In the seventh Cl site, Cl(7) is bonded in a distorted T-shaped geometry to one Pb(1), one Pb(3), and one Pb(4) atom. In the eighth Cl site, Cl(8) is bonded in a distorted bent 150 degrees geometry to one Pb(1) and one Pb(5) atom. In the ninth Cl site, Cl(9) is bonded in a distorted T-shaped geometry to one Pb(2) and two equivalent Pb(4) atoms. is represented by the CIF file [CIF]
data_TlPbCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.102
_cell_length_b   11.686
_cell_length_c   11.573
_cell_angle_alpha   62.707
_cell_angle_beta   59.102
_cell_angle_gamma   58.191
_symmetry_Int_Tables_number   1
_cell_volume   1153.260
_cell_formula_units_Z   8
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  0.526  0.155  0.474  1.0
  Tl  Tl1  1  0.155  0.526  0.845  1.0
  Tl  Tl2  1  0.349  0.650  0.975  1.0
  Tl  Tl3  1  0.025  0.973  0.651  1.0
  Tl  Tl4  1  0.497  0.996  0.004  1.0
  Tl  Tl5  1  0.973  0.025  0.350  1.0
  Tl  Tl6  1  0.650  0.349  0.027  1.0
  Tl  Tl7  1  0.996  0.497  0.503  1.0
  Pb  Pb8  1  0.747  0.747  0.753  1.0
  Pb  Pb9  1  0.866  0.866  0.134  1.0
  Pb  Pb10  1  0.342  0.639  0.361  1.0
  Pb  Pb11  1  0.839  0.492  0.161  1.0
  Pb  Pb12  1  0.639  0.342  0.658  1.0
  Pb  Pb13  1  0.492  0.839  0.508  1.0
  Pb  Pb14  1  0.150  0.150  0.850  1.0
  Pb  Pb15  1  0.247  0.247  0.253  1.0
  Cl  Cl16  1  0.785  0.840  0.439  1.0
  Cl  Cl17  1  0.059  0.700  0.573  1.0
  Cl  Cl18  1  0.313  0.313  0.687  1.0
  Cl  Cl19  1  0.840  0.785  0.936  1.0
  Cl  Cl20  1  0.064  0.561  0.160  1.0
  Cl  Cl21  1  0.197  0.815  0.185  1.0
  Cl  Cl22  1  0.700  0.059  0.668  1.0
  Cl  Cl23  1  0.332  0.427  0.300  1.0
  Cl  Cl24  1  0.111  0.890  0.889  1.0
  Cl  Cl25  1  0.637  0.384  0.363  1.0
  Cl  Cl26  1  0.561  0.064  0.215  1.0
  Cl  Cl27  1  0.427  0.332  0.941  1.0
  Cl  Cl28  1  0.586  0.655  0.066  1.0
  Cl  Cl29  1  0.441  0.920  0.782  1.0
  Cl  Cl30  1  0.890  0.111  0.110  1.0
  Cl  Cl31  1  0.384  0.637  0.616  1.0
  Cl  Cl32  1  0.655  0.586  0.693  1.0
  Cl  Cl33  1  0.307  0.934  0.345  1.0
  Cl  Cl34  1  0.815  0.197  0.803  1.0
  Cl  Cl35  1  0.920  0.441  0.857  1.0
  Cl  Cl36  1  0.143  0.218  0.080  1.0
  Cl  Cl37  1  0.687  0.687  0.313  1.0
  Cl  Cl38  1  0.934  0.307  0.414  1.0
  Cl  Cl39  1  0.218  0.143  0.559  1.0
[/CIF]
.
The material described by TlTl3(PbCl3)4 crystallizes in the orthorhombic Fmm2 space group. The structure consists of eight 7440-28-0 atoms inside a Tl3(PbCl3)4 framework. In the Tl3(PbCl3)4 framework, there are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted L-shaped geometry to one Cl(3) and one Cl(6) atom. In the second Tl site, Tl(2) is bonded in a 2-coordinate geometry to one Cl(4) and one Cl(5) atom. There are five inequivalent Pb sites. In the first Pb site, Pb(2) is bonded in a 7-coordinate geometry to one Cl(9), two equivalent Cl(5), and four equivalent Cl(1) atoms. In the second Pb site, Pb(1) is bonded in a 8-coordinate geometry to two equivalent Cl(1), two equivalent Cl(2), two equivalent Cl(7), and two equivalent Cl(8) atoms. In the third Pb site, Pb(3) is bonded in a 7-coordinate geometry to one Cl(4), two equivalent Cl(2), two equivalent Cl(6), and two equivalent Cl(7) atoms. In the fourth Pb site, Pb(4) is bonded in a 6-coordinate geometry to one Cl(6), one Cl(9), two equivalent Cl(1), and two equivalent Cl(7) atoms. In the fifth Pb site, Pb(5) is bonded in a 7-coordinate geometry to one Cl(3), two equivalent Cl(5), and four equivalent Cl(8) atoms. There are nine inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted T-shaped geometry to one Pb(1), one Pb(2), and one Pb(4) atom. In the second Cl site, Cl(2) is bonded in a 2-coordinate geometry to one Pb(1) and one Pb(3) atom. In the third Cl site, Cl(3) is bonded in a T-shaped geometry to two equivalent Tl(1) and one Pb(5) atom. In the fourth Cl site, Cl(4) is bonded in a T-shaped geometry to two equivalent Tl(2) and one Pb(3) atom. In the fifth Cl site, Cl(5) is bonded to two equivalent Tl(2), one Pb(2), and one Pb(5) atom to form edge-sharing ClTl2Pb2 tetrahedra. In the sixth Cl site, Cl(6) is bonded in a distorted bent 150 degrees geometry to one Tl(1), one Pb(4), and two equivalent Pb(3) atoms. In the seventh Cl site, Cl(7) is bonded in a distorted T-shaped geometry to one Pb(1), one Pb(3), and one Pb(4) atom. In the eighth Cl site, Cl(8) is bonded in a distorted bent 150 degrees geometry to one Pb(1) and one Pb(5) atom. In the ninth Cl site, Cl(9) is bonded in a distorted T-shaped geometry to one Pb(2) and two equivalent Pb(4) atoms. is represented by the CIF file [CIF]
data_TlPbCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.102
_cell_length_b   11.686
_cell_length_c   11.573
_cell_angle_alpha   62.707
_cell_angle_beta   59.102
_cell_angle_gamma   58.191
_symmetry_Int_Tables_number   1
_cell_volume   1153.260
_cell_formula_units_Z   8
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  0.526  0.155  0.474  1.0
  Tl  Tl1  1  0.155  0.526  0.845  1.0
  Tl  Tl2  1  0.349  0.650  0.975  1.0
  Tl  Tl3  1  0.025  0.973  0.651  1.0
  Tl  Tl4  1  0.497  0.996  0.004  1.0
  Tl  Tl5  1  0.973  0.025  0.350  1.0
  Tl  Tl6  1  0.650  0.349  0.027  1.0
  Tl  Tl7  1  0.996  0.497  0.503  1.0
  Pb  Pb8  1  0.747  0.747  0.753  1.0
  Pb  Pb9  1  0.866  0.866  0.134  1.0
  Pb  Pb10  1  0.342  0.639  0.361  1.0
  Pb  Pb11  1  0.839  0.492  0.161  1.0
  Pb  Pb12  1  0.639  0.342  0.658  1.0
  Pb  Pb13  1  0.492  0.839  0.508  1.0
  Pb  Pb14  1  0.150  0.150  0.850  1.0
  Pb  Pb15  1  0.247  0.247  0.253  1.0
  Cl  Cl16  1  0.785  0.840  0.439  1.0
  Cl  Cl17  1  0.059  0.700  0.573  1.0
  Cl  Cl18  1  0.313  0.313  0.687  1.0
  Cl  Cl19  1  0.840  0.785  0.936  1.0
  Cl  Cl20  1  0.064  0.561  0.160  1.0
  Cl  Cl21  1  0.197  0.815  0.185  1.0
  Cl  Cl22  1  0.700  0.059  0.668  1.0
  Cl  Cl23  1  0.332  0.427  0.300  1.0
  Cl  Cl24  1  0.111  0.890  0.889  1.0
  Cl  Cl25  1  0.637  0.384  0.363  1.0
  Cl  Cl26  1  0.561  0.064  0.215  1.0
  Cl  Cl27  1  0.427  0.332  0.941  1.0
  Cl  Cl28  1  0.586  0.655  0.066  1.0
  Cl  Cl29  1  0.441  0.920  0.782  1.0
  Cl  Cl30  1  0.890  0.111  0.110  1.0
  Cl  Cl31  1  0.384  0.637  0.616  1.0
  Cl  Cl32  1  0.655  0.586  0.693  1.0
  Cl  Cl33  1  0.307  0.934  0.345  1.0
  Cl  Cl34  1  0.815  0.197  0.803  1.0
  Cl  Cl35  1  0.920  0.441  0.857  1.0
  Cl  Cl36  1  0.143  0.218  0.080  1.0
  Cl  Cl37  1  0.687  0.687  0.313  1.0
  Cl  Cl38  1  0.934  0.307  0.414  1.0
  Cl  Cl39  1  0.218  0.143  0.559  1.0
[/CIF]
.