The material structure described by Tl2PbGeS4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 2-coordinate geometry to one S(2) and one S(3) atom. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one S(2), one S(3), and one S(4) atom. Pb(1) is bonded in a 5-coordinate geometry to one S(1), two equivalent S(3), and two equivalent S(4) atoms. Ge(1) is bonded in a tetrahedral geometry to one S(1), one S(2), one S(3), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a distorted single-bond geometry to one Pb(1) and one Ge(1) atom. In the second S site, S(2) is bonded in a distorted single-bond geometry to one Tl(1), one Tl(2), and one Ge(1) atom. In the third S site, S(3) is bonded in a 1-coordinate geometry to one Tl(1), one Tl(2), two equivalent Pb(1), and one Ge(1) atom. In the fourth S site, S(4) is bonded in a 1-coordinate geometry to one Tl(2), two equivalent Pb(1), and one Ge(1) atom. is represented by the CIF file [CIF]
data_Tl2GePbS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.242
_cell_length_b   9.054
_cell_length_c   10.663
_cell_angle_alpha   85.812
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   889.841
_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
  Tl  Tl0  1  0.692  0.559  0.947  1.0
  Tl  Tl1  1  0.808  0.059  0.947  1.0
  Tl  Tl2  1  0.308  0.441  0.053  1.0
  Tl  Tl3  1  0.608  0.099  0.229  1.0
  Tl  Tl4  1  0.108  0.401  0.771  1.0
  Tl  Tl5  1  0.392  0.901  0.771  1.0
  Tl  Tl6  1  0.192  0.941  0.053  1.0
  Tl  Tl7  1  0.892  0.599  0.229  1.0
  Ge  Ge8  1  0.473  0.708  0.261  1.0
  Ge  Ge9  1  0.027  0.208  0.261  1.0
  Ge  Ge10  1  0.527  0.292  0.739  1.0
  Ge  Ge11  1  0.973  0.792  0.739  1.0
  Pb  Pb12  1  0.306  0.398  0.446  1.0
  Pb  Pb13  1  0.806  0.102  0.554  1.0
  Pb  Pb14  1  0.194  0.898  0.446  1.0
  Pb  Pb15  1  0.694  0.602  0.554  1.0
  S  S16  1  0.061  0.023  0.706  1.0
  S  S17  1  0.965  0.323  0.079  1.0
  S  S18  1  0.439  0.523  0.706  1.0
  S  S19  1  0.228  0.684  0.266  1.0
  S  S20  1  0.531  0.840  0.424  1.0
  S  S21  1  0.035  0.677  0.921  1.0
  S  S22  1  0.469  0.160  0.576  1.0
  S  S23  1  0.465  0.177  0.921  1.0
  S  S24  1  0.939  0.977  0.294  1.0
  S  S25  1  0.728  0.816  0.734  1.0
  S  S26  1  0.272  0.184  0.266  1.0
  S  S27  1  0.772  0.316  0.734  1.0
  S  S28  1  0.031  0.660  0.576  1.0
  S  S29  1  0.535  0.823  0.079  1.0
  S  S30  1  0.561  0.477  0.294  1.0
  S  S31  1  0.969  0.340  0.424  1.0
[/CIF]
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The material structure described by Tl2PbGeS4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 2-coordinate geometry to one S(2) and one S(3) atom. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one S(2), one S(3), and one S(4) atom. Pb(1) is bonded in a 5-coordinate geometry to one S(1), two equivalent S(3), and two equivalent S(4) atoms. Ge(1) is bonded in a tetrahedral geometry to one S(1), one S(2), one S(3), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a distorted single-bond geometry to one Pb(1) and one Ge(1) atom. In the second S site, S(2) is bonded in a distorted single-bond geometry to one Tl(1), one Tl(2), and one Ge(1) atom. In the third S site, S(3) is bonded in a 1-coordinate geometry to one Tl(1), one Tl(2), two equivalent Pb(1), and one Ge(1) atom. In the fourth S site, S(4) is bonded in a 1-coordinate geometry to one Tl(2), two equivalent Pb(1), and one Ge(1) atom. is represented by the CIF file [CIF]
data_Tl2GePbS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.242
_cell_length_b   9.054
_cell_length_c   10.663
_cell_angle_alpha   85.812
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   889.841
_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
  Tl  Tl0  1  0.692  0.559  0.947  1.0
  Tl  Tl1  1  0.808  0.059  0.947  1.0
  Tl  Tl2  1  0.308  0.441  0.053  1.0
  Tl  Tl3  1  0.608  0.099  0.229  1.0
  Tl  Tl4  1  0.108  0.401  0.771  1.0
  Tl  Tl5  1  0.392  0.901  0.771  1.0
  Tl  Tl6  1  0.192  0.941  0.053  1.0
  Tl  Tl7  1  0.892  0.599  0.229  1.0
  Ge  Ge8  1  0.473  0.708  0.261  1.0
  Ge  Ge9  1  0.027  0.208  0.261  1.0
  Ge  Ge10  1  0.527  0.292  0.739  1.0
  Ge  Ge11  1  0.973  0.792  0.739  1.0
  Pb  Pb12  1  0.306  0.398  0.446  1.0
  Pb  Pb13  1  0.806  0.102  0.554  1.0
  Pb  Pb14  1  0.194  0.898  0.446  1.0
  Pb  Pb15  1  0.694  0.602  0.554  1.0
  S  S16  1  0.061  0.023  0.706  1.0
  S  S17  1  0.965  0.323  0.079  1.0
  S  S18  1  0.439  0.523  0.706  1.0
  S  S19  1  0.228  0.684  0.266  1.0
  S  S20  1  0.531  0.840  0.424  1.0
  S  S21  1  0.035  0.677  0.921  1.0
  S  S22  1  0.469  0.160  0.576  1.0
  S  S23  1  0.465  0.177  0.921  1.0
  S  S24  1  0.939  0.977  0.294  1.0
  S  S25  1  0.728  0.816  0.734  1.0
  S  S26  1  0.272  0.184  0.266  1.0
  S  S27  1  0.772  0.316  0.734  1.0
  S  S28  1  0.031  0.660  0.576  1.0
  S  S29  1  0.535  0.823  0.079  1.0
  S  S30  1  0.561  0.477  0.294  1.0
  S  S31  1  0.969  0.340  0.424  1.0
[/CIF]
.