The crystal structure described by Tl2GeTe3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 3-coordinate geometry to two equivalent Te(1) and two equivalent Te(2) atoms. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one Te(2) and two equivalent Te(1) atoms. Ge(1) is bonded to one Te(1), one Te(2), one Te(3), and one Te(4) atom to form edge-sharing GeTe4 tetrahedra. There are four inequivalent Te sites. In the first Te site, Te(2) is bonded in a 4-coordinate geometry to one Tl(2), two equivalent Tl(1), and one Ge(1) atom. In the second Te site, Te(3) is bonded in an L-shaped geometry to two equivalent Ge(1) atoms. In the third Te site, Te(4) is bonded in a distorted L-shaped geometry to two equivalent Ge(1) atoms. In the fourth Te site, Te(1) is bonded in a 5-coordinate geometry to two equivalent Tl(1), two equivalent Tl(2), and one Ge(1) atom. is represented by the CIF file [CIF]
data_Tl2GeTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.557
_cell_length_b   8.774
_cell_length_c   22.008
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1652.387
_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  0.770  0.546  0.507  1.0
  Tl  Tl1  1  0.270  0.954  0.993  1.0
  Tl  Tl2  1  0.730  0.046  0.493  1.0
  Tl  Tl3  1  0.230  0.454  0.007  1.0
  Tl  Tl4  1  0.230  0.454  0.493  1.0
  Tl  Tl5  1  0.730  0.046  0.007  1.0
  Tl  Tl6  1  0.270  0.954  0.507  1.0
  Tl  Tl7  1  0.770  0.546  0.993  1.0
  Tl  Tl8  1  0.822  0.479  0.668  1.0
  Tl  Tl9  1  0.322  0.021  0.832  1.0
  Tl  Tl10  1  0.678  0.979  0.332  1.0
  Tl  Tl11  1  0.178  0.521  0.168  1.0
  Tl  Tl12  1  0.178  0.521  0.332  1.0
  Tl  Tl13  1  0.678  0.979  0.168  1.0
  Tl  Tl14  1  0.322  0.021  0.668  1.0
  Tl  Tl15  1  0.822  0.479  0.832  1.0
  Ge  Ge16  1  0.826  0.985  0.831  1.0
  Ge  Ge17  1  0.826  0.985  0.669  1.0
  Ge  Ge18  1  0.326  0.515  0.831  1.0
  Ge  Ge19  1  0.674  0.485  0.331  1.0
  Ge  Ge20  1  0.174  0.015  0.169  1.0
  Ge  Ge21  1  0.174  0.015  0.331  1.0
  Ge  Ge22  1  0.674  0.485  0.169  1.0
  Ge  Ge23  1  0.326  0.515  0.669  1.0
  Te  Te24  1  0.485  0.338  0.593  1.0
  Te  Te25  1  0.985  0.162  0.907  1.0
  Te  Te26  1  0.015  0.838  0.407  1.0
  Te  Te27  1  0.515  0.662  0.093  1.0
  Te  Te28  1  0.515  0.662  0.407  1.0
  Te  Te29  1  0.015  0.838  0.093  1.0
  Te  Te30  1  0.985  0.162  0.593  1.0
  Te  Te31  1  0.485  0.338  0.907  1.0
  Te  Te32  1  0.626  0.813  0.610  1.0
  Te  Te33  1  0.626  0.813  0.890  1.0
  Te  Te34  1  0.126  0.687  0.610  1.0
  Te  Te35  1  0.874  0.313  0.110  1.0
  Te  Te36  1  0.374  0.187  0.390  1.0
  Te  Te37  1  0.374  0.187  0.110  1.0
  Te  Te38  1  0.874  0.313  0.390  1.0
  Te  Te39  1  0.126  0.687  0.890  1.0
  Te  Te40  1  0.997  0.826  0.750  1.0
  Te  Te41  1  0.497  0.674  0.750  1.0
  Te  Te42  1  0.503  0.326  0.250  1.0
  Te  Te43  1  0.003  0.174  0.250  1.0
  Te  Te44  1  0.668  0.155  0.750  1.0
  Te  Te45  1  0.168  0.345  0.750  1.0
  Te  Te46  1  0.832  0.655  0.250  1.0
  Te  Te47  1  0.332  0.845  0.250  1.0
[/CIF]
.
The crystal structure described by Tl2GeTe3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 3-coordinate geometry to two equivalent Te(1) and two equivalent Te(2) atoms. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one Te(2) and two equivalent Te(1) atoms. Ge(1) is bonded to one Te(1), one Te(2), one Te(3), and one Te(4) atom to form edge-sharing GeTe4 tetrahedra. There are four inequivalent Te sites. In the first Te site, Te(2) is bonded in a 4-coordinate geometry to one Tl(2), two equivalent Tl(1), and one Ge(1) atom. In the second Te site, Te(3) is bonded in an L-shaped geometry to two equivalent Ge(1) atoms. In the third Te site, Te(4) is bonded in a distorted L-shaped geometry to two equivalent Ge(1) atoms. In the fourth Te site, Te(1) is bonded in a 5-coordinate geometry to two equivalent Tl(1), two equivalent Tl(2), and one Ge(1) atom. is represented by the CIF file [CIF]
data_Tl2GeTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.557
_cell_length_b   8.774
_cell_length_c   22.008
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1652.387
_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  0.770  0.546  0.507  1.0
  Tl  Tl1  1  0.270  0.954  0.993  1.0
  Tl  Tl2  1  0.730  0.046  0.493  1.0
  Tl  Tl3  1  0.230  0.454  0.007  1.0
  Tl  Tl4  1  0.230  0.454  0.493  1.0
  Tl  Tl5  1  0.730  0.046  0.007  1.0
  Tl  Tl6  1  0.270  0.954  0.507  1.0
  Tl  Tl7  1  0.770  0.546  0.993  1.0
  Tl  Tl8  1  0.822  0.479  0.668  1.0
  Tl  Tl9  1  0.322  0.021  0.832  1.0
  Tl  Tl10  1  0.678  0.979  0.332  1.0
  Tl  Tl11  1  0.178  0.521  0.168  1.0
  Tl  Tl12  1  0.178  0.521  0.332  1.0
  Tl  Tl13  1  0.678  0.979  0.168  1.0
  Tl  Tl14  1  0.322  0.021  0.668  1.0
  Tl  Tl15  1  0.822  0.479  0.832  1.0
  Ge  Ge16  1  0.826  0.985  0.831  1.0
  Ge  Ge17  1  0.826  0.985  0.669  1.0
  Ge  Ge18  1  0.326  0.515  0.831  1.0
  Ge  Ge19  1  0.674  0.485  0.331  1.0
  Ge  Ge20  1  0.174  0.015  0.169  1.0
  Ge  Ge21  1  0.174  0.015  0.331  1.0
  Ge  Ge22  1  0.674  0.485  0.169  1.0
  Ge  Ge23  1  0.326  0.515  0.669  1.0
  Te  Te24  1  0.485  0.338  0.593  1.0
  Te  Te25  1  0.985  0.162  0.907  1.0
  Te  Te26  1  0.015  0.838  0.407  1.0
  Te  Te27  1  0.515  0.662  0.093  1.0
  Te  Te28  1  0.515  0.662  0.407  1.0
  Te  Te29  1  0.015  0.838  0.093  1.0
  Te  Te30  1  0.985  0.162  0.593  1.0
  Te  Te31  1  0.485  0.338  0.907  1.0
  Te  Te32  1  0.626  0.813  0.610  1.0
  Te  Te33  1  0.626  0.813  0.890  1.0
  Te  Te34  1  0.126  0.687  0.610  1.0
  Te  Te35  1  0.874  0.313  0.110  1.0
  Te  Te36  1  0.374  0.187  0.390  1.0
  Te  Te37  1  0.374  0.187  0.110  1.0
  Te  Te38  1  0.874  0.313  0.390  1.0
  Te  Te39  1  0.126  0.687  0.890  1.0
  Te  Te40  1  0.997  0.826  0.750  1.0
  Te  Te41  1  0.497  0.674  0.750  1.0
  Te  Te42  1  0.503  0.326  0.250  1.0
  Te  Te43  1  0.003  0.174  0.250  1.0
  Te  Te44  1  0.668  0.155  0.750  1.0
  Te  Te45  1  0.168  0.345  0.750  1.0
  Te  Te46  1  0.832  0.655  0.250  1.0
  Te  Te47  1  0.332  0.845  0.250  1.0
[/CIF]
.