The compound described by LiGeTe2 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one Te(3), one Te(4), one Te(6), and two equivalent Te(1) atoms to form distorted LiTe5 square pyramids that share  a cornercorner with one Li(3)Te6 octahedra, corners with four equivalent Li(2)Te6 octahedra,  a cornercorner with one Ge(2)GeTe3 tetrahedra,  a cornercorner with one Ge(3)GeTe3 tetrahedra, corners with two equivalent Ge(1)GeTe3 tetrahedra,  an edgeedge with one Li(2)Te6 octahedra,  an edgeedge with one Li(3)Te6 octahedra,  an edgeedge with one Li(4)Te6 octahedra,  an edgeedge with one Li(1)Te5 square pyramid, and  an edgeedge with one Ge(3)GeTe3 tetrahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second Li site, Li(2) is bonded to one Te(1), one Te(3), one Te(5), one Te(6), and two equivalent Te(4) atoms to form LiTe6 octahedra that share corners with two equivalent Li(4)Te6 octahedra, corners with four equivalent Li(1)Te5 square pyramids, corners with two equivalent Ge(1)GeTe3 tetrahedra, corners with two equivalent Ge(2)GeTe3 tetrahedra, corners with two equivalent Ge(3)GeTe3 tetrahedra,  an edgeedge with one Li(2)Te6 octahedra,  an edgeedge with one Li(3)Te6 octahedra,  an edgeedge with one Li(4)Te6 octahedra,  an edgeedge with one Li(1)Te5 square pyramid, and  an edgeedge with one Ge(1)GeTe3 tetrahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the third Li site, Li(3) is bonded to two equivalent Te(1), two equivalent Te(2), and two equivalent Te(6) atoms to form LiTe6 octahedra that share corners with two equivalent Li(4)Te6 octahedra, corners with two equivalent Li(1)Te5 square pyramids, corners with four equivalent Ge(2)GeTe3 tetrahedra, corners with four equivalent Ge(3)GeTe3 tetrahedra, edges with two equivalent Li(2)Te6 octahedra, and edges with two equivalent Li(1)Te5 square pyramids. The corner-sharing octahedral tilt angles are 6°. In the fourth Li site, Li(4) is bonded to two equivalent Te(4), two equivalent Te(5), and two equivalent Te(6) atoms to form LiTe6 octahedra that share corners with two equivalent Li(3)Te6 octahedra, corners with four equivalent Li(2)Te6 octahedra, edges with two equivalent Li(2)Te6 octahedra, edges with two equivalent Li(1)Te5 square pyramids, edges with two equivalent Ge(1)GeTe3 tetrahedra, and edges with two equivalent Ge(2)GeTe3 tetrahedra. The corner-sharing octahedral tilt angles range from 4-9°. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one Ge(1), one Te(3), one Te(4), and one Te(5) atom to form GeGeTe3 tetrahedra that share corners with two equivalent Li(2)Te6 octahedra,  a cornercorner with one Te(4)Li4Ge square pyramid, corners with two equivalent Li(1)Te5 square pyramids,  a cornercorner with one Ge(2)GeTe3 tetrahedra,  a cornercorner with one Ge(3)GeTe3 tetrahedra,  an edgeedge with one Li(2)Te6 octahedra, and  an edgeedge with one Li(4)Te6 octahedra. The corner-sharing octahedral tilt angles range from 82-84°. In the second Ge site, Ge(2) is bonded to one Ge(3), one Te(2), one Te(5), and one Te(6) atom to form GeGeTe3 tetrahedra that share corners with two equivalent Li(2)Te6 octahedra, corners with two equivalent Li(3)Te6 octahedra,  a cornercorner with one Li(1)Te5 square pyramid,  a cornercorner with one Te(1)Li4Ge square pyramid,  a cornercorner with one Ge(1)GeTe3 tetrahedra,  a cornercorner with one Ge(3)GeTe3 tetrahedra, and  an edgeedge with one Li(4)Te6 octahedra. The corner-sharing octahedral tilt angles range from 75-83°. In the third Ge site, Ge(3) is bonded to one Ge(2), one Te(1), one Te(2), and one Te(3) atom to form GeGeTe3 tetrahedra that share corners with two equivalent Li(2)Te6 octahedra, corners with two equivalent Li(3)Te6 octahedra,  a cornercorner with one Li(1)Te5 square pyramid,  a cornercorner with one Te(6)Li4Ge square pyramid,  a cornercorner with one Ge(1)GeTe3 tetrahedra,  a cornercorner with one Ge(2)GeTe3 tetrahedra, and  an edgeedge with one Li(1)Te5 square pyramid. The corner-sharing octahedral tilt angles range from 74-84°. There are six inequivalent Te sites. In the first Te site, Te(1) is bonded to one Li(2), one Li(3), two equivalent Li(1), and one Ge(3) atom to form TeLi4Ge square pyramids that share  a cornercorner with one Te(1)Li4Ge square pyramid,  a cornercorner with one Te(6)Li4Ge square pyramid, corners with two equivalent Te(4)Li4Ge square pyramids,  a cornercorner with one Ge(2)GeTe3 tetrahedra,  an edgeedge with one Te(1)Li4Ge square pyramid,  an edgeedge with one Te(4)Li4Ge square pyramid, and edges with two equivalent Te(6)Li4Ge square pyramids. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one Li(3), one Ge(2), and one Ge(3) atom. In the third Te site, Te(3) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Ge(1), and one Ge(3) atom. In the fourth Te site, Te(4) is bonded to one Li(1), one Li(4), two equivalent Li(2), and one Ge(1) atom to form TeLi4Ge square pyramids that share  a cornercorner with one Te(4)Li4Ge square pyramid,  a cornercorner with one Te(6)Li4Ge square pyramid, corners with two equivalent Te(1)Li4Ge square pyramids,  a cornercorner with one Ge(1)GeTe3 tetrahedra,  an edgeedge with one Te(1)Li4Ge square pyramid,  an edgeedge with one Te(4)Li4Ge square pyramid, and edges with two equivalent Te(6)Li4Ge square pyramids. In the fifth Te site, Te(5) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(4), one Ge(1), and one Ge(2) atom. In the sixth Te site, Te(6) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), and one Ge(2) atom to form TeLi4Ge square pyramids that share  a cornercorner with one Te(1)Li4Ge square pyramid,  a cornercorner with one Te(4)Li4Ge square pyramid, corners with two equivalent Te(6)Li4Ge square pyramids,  a cornercorner with one Ge(3)GeTe3 tetrahedra, edges with two equivalent Te(1)Li4Ge square pyramids, and edges with two equivalent Te(4)Li4Ge square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiGeTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.343
_cell_length_b   9.250
_cell_length_c   11.480
_cell_angle_alpha   75.693
_cell_angle_beta   77.104
_cell_angle_gamma   70.624
_symmetry_Int_Tables_number   1
_cell_volume   704.206
_cell_formula_units_Z   6
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
  Li  Li0  1  0.991  0.653  0.810  1.0
  Li  Li1  1  0.009  0.347  0.190  1.0
  Li  Li2  1  0.527  0.680  0.321  1.0
  Li  Li3  1  0.473  0.320  0.679  1.0
  Li  Li4  1  0.500  0.000  0.000  1.0
  Li  Li5  1  0.000  0.000  0.500  1.0
  Ge  Ge6  1  0.066  0.611  0.450  1.0
  Ge  Ge7  1  0.934  0.389  0.550  1.0
  Ge  Ge8  1  0.962  0.960  0.207  1.0
  Ge  Ge9  1  0.038  0.040  0.793  1.0
  Ge  Ge10  1  0.047  0.742  0.097  1.0
  Ge  Ge11  1  0.953  0.258  0.903  1.0
  Te  Te12  1  0.755  0.667  0.072  1.0
  Te  Te13  1  0.245  0.333  0.928  1.0
  Te  Te14  1  0.699  0.201  0.101  1.0
  Te  Te15  1  0.301  0.799  0.899  1.0
  Te  Te16  1  0.274  0.520  0.243  1.0
  Te  Te17  1  0.726  0.480  0.757  1.0
  Te  Te18  1  0.267  0.667  0.580  1.0
  Te  Te19  1  0.733  0.333  0.420  1.0
  Te  Te20  1  0.751  0.850  0.407  1.0
  Te  Te21  1  0.249  0.150  0.593  1.0
  Te  Te22  1  0.257  0.012  0.253  1.0
  Te  Te23  1  0.743  0.988  0.747  1.0
[/CIF]
.
The compound described by LiGeTe2 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one Te(3), one Te(4), one Te(6), and two equivalent Te(1) atoms to form distorted LiTe5 square pyramids that share  a cornercorner with one Li(3)Te6 octahedra, corners with four equivalent Li(2)Te6 octahedra,  a cornercorner with one Ge(2)GeTe3 tetrahedra,  a cornercorner with one Ge(3)GeTe3 tetrahedra, corners with two equivalent Ge(1)GeTe3 tetrahedra,  an edgeedge with one Li(2)Te6 octahedra,  an edgeedge with one Li(3)Te6 octahedra,  an edgeedge with one Li(4)Te6 octahedra,  an edgeedge with one Li(1)Te5 square pyramid, and  an edgeedge with one Ge(3)GeTe3 tetrahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second Li site, Li(2) is bonded to one Te(1), one Te(3), one Te(5), one Te(6), and two equivalent Te(4) atoms to form LiTe6 octahedra that share corners with two equivalent Li(4)Te6 octahedra, corners with four equivalent Li(1)Te5 square pyramids, corners with two equivalent Ge(1)GeTe3 tetrahedra, corners with two equivalent Ge(2)GeTe3 tetrahedra, corners with two equivalent Ge(3)GeTe3 tetrahedra,  an edgeedge with one Li(2)Te6 octahedra,  an edgeedge with one Li(3)Te6 octahedra,  an edgeedge with one Li(4)Te6 octahedra,  an edgeedge with one Li(1)Te5 square pyramid, and  an edgeedge with one Ge(1)GeTe3 tetrahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the third Li site, Li(3) is bonded to two equivalent Te(1), two equivalent Te(2), and two equivalent Te(6) atoms to form LiTe6 octahedra that share corners with two equivalent Li(4)Te6 octahedra, corners with two equivalent Li(1)Te5 square pyramids, corners with four equivalent Ge(2)GeTe3 tetrahedra, corners with four equivalent Ge(3)GeTe3 tetrahedra, edges with two equivalent Li(2)Te6 octahedra, and edges with two equivalent Li(1)Te5 square pyramids. The corner-sharing octahedral tilt angles are 6°. In the fourth Li site, Li(4) is bonded to two equivalent Te(4), two equivalent Te(5), and two equivalent Te(6) atoms to form LiTe6 octahedra that share corners with two equivalent Li(3)Te6 octahedra, corners with four equivalent Li(2)Te6 octahedra, edges with two equivalent Li(2)Te6 octahedra, edges with two equivalent Li(1)Te5 square pyramids, edges with two equivalent Ge(1)GeTe3 tetrahedra, and edges with two equivalent Ge(2)GeTe3 tetrahedra. The corner-sharing octahedral tilt angles range from 4-9°. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one Ge(1), one Te(3), one Te(4), and one Te(5) atom to form GeGeTe3 tetrahedra that share corners with two equivalent Li(2)Te6 octahedra,  a cornercorner with one Te(4)Li4Ge square pyramid, corners with two equivalent Li(1)Te5 square pyramids,  a cornercorner with one Ge(2)GeTe3 tetrahedra,  a cornercorner with one Ge(3)GeTe3 tetrahedra,  an edgeedge with one Li(2)Te6 octahedra, and  an edgeedge with one Li(4)Te6 octahedra. The corner-sharing octahedral tilt angles range from 82-84°. In the second Ge site, Ge(2) is bonded to one Ge(3), one Te(2), one Te(5), and one Te(6) atom to form GeGeTe3 tetrahedra that share corners with two equivalent Li(2)Te6 octahedra, corners with two equivalent Li(3)Te6 octahedra,  a cornercorner with one Li(1)Te5 square pyramid,  a cornercorner with one Te(1)Li4Ge square pyramid,  a cornercorner with one Ge(1)GeTe3 tetrahedra,  a cornercorner with one Ge(3)GeTe3 tetrahedra, and  an edgeedge with one Li(4)Te6 octahedra. The corner-sharing octahedral tilt angles range from 75-83°. In the third Ge site, Ge(3) is bonded to one Ge(2), one Te(1), one Te(2), and one Te(3) atom to form GeGeTe3 tetrahedra that share corners with two equivalent Li(2)Te6 octahedra, corners with two equivalent Li(3)Te6 octahedra,  a cornercorner with one Li(1)Te5 square pyramid,  a cornercorner with one Te(6)Li4Ge square pyramid,  a cornercorner with one Ge(1)GeTe3 tetrahedra,  a cornercorner with one Ge(2)GeTe3 tetrahedra, and  an edgeedge with one Li(1)Te5 square pyramid. The corner-sharing octahedral tilt angles range from 74-84°. There are six inequivalent Te sites. In the first Te site, Te(1) is bonded to one Li(2), one Li(3), two equivalent Li(1), and one Ge(3) atom to form TeLi4Ge square pyramids that share  a cornercorner with one Te(1)Li4Ge square pyramid,  a cornercorner with one Te(6)Li4Ge square pyramid, corners with two equivalent Te(4)Li4Ge square pyramids,  a cornercorner with one Ge(2)GeTe3 tetrahedra,  an edgeedge with one Te(1)Li4Ge square pyramid,  an edgeedge with one Te(4)Li4Ge square pyramid, and edges with two equivalent Te(6)Li4Ge square pyramids. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one Li(3), one Ge(2), and one Ge(3) atom. In the third Te site, Te(3) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Ge(1), and one Ge(3) atom. In the fourth Te site, Te(4) is bonded to one Li(1), one Li(4), two equivalent Li(2), and one Ge(1) atom to form TeLi4Ge square pyramids that share  a cornercorner with one Te(4)Li4Ge square pyramid,  a cornercorner with one Te(6)Li4Ge square pyramid, corners with two equivalent Te(1)Li4Ge square pyramids,  a cornercorner with one Ge(1)GeTe3 tetrahedra,  an edgeedge with one Te(1)Li4Ge square pyramid,  an edgeedge with one Te(4)Li4Ge square pyramid, and edges with two equivalent Te(6)Li4Ge square pyramids. In the fifth Te site, Te(5) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(4), one Ge(1), and one Ge(2) atom. In the sixth Te site, Te(6) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), and one Ge(2) atom to form TeLi4Ge square pyramids that share  a cornercorner with one Te(1)Li4Ge square pyramid,  a cornercorner with one Te(4)Li4Ge square pyramid, corners with two equivalent Te(6)Li4Ge square pyramids,  a cornercorner with one Ge(3)GeTe3 tetrahedra, edges with two equivalent Te(1)Li4Ge square pyramids, and edges with two equivalent Te(4)Li4Ge square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiGeTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.343
_cell_length_b   9.250
_cell_length_c   11.480
_cell_angle_alpha   75.693
_cell_angle_beta   77.104
_cell_angle_gamma   70.624
_symmetry_Int_Tables_number   1
_cell_volume   704.206
_cell_formula_units_Z   6
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
  Li  Li0  1  0.991  0.653  0.810  1.0
  Li  Li1  1  0.009  0.347  0.190  1.0
  Li  Li2  1  0.527  0.680  0.321  1.0
  Li  Li3  1  0.473  0.320  0.679  1.0
  Li  Li4  1  0.500  0.000  0.000  1.0
  Li  Li5  1  0.000  0.000  0.500  1.0
  Ge  Ge6  1  0.066  0.611  0.450  1.0
  Ge  Ge7  1  0.934  0.389  0.550  1.0
  Ge  Ge8  1  0.962  0.960  0.207  1.0
  Ge  Ge9  1  0.038  0.040  0.793  1.0
  Ge  Ge10  1  0.047  0.742  0.097  1.0
  Ge  Ge11  1  0.953  0.258  0.903  1.0
  Te  Te12  1  0.755  0.667  0.072  1.0
  Te  Te13  1  0.245  0.333  0.928  1.0
  Te  Te14  1  0.699  0.201  0.101  1.0
  Te  Te15  1  0.301  0.799  0.899  1.0
  Te  Te16  1  0.274  0.520  0.243  1.0
  Te  Te17  1  0.726  0.480  0.757  1.0
  Te  Te18  1  0.267  0.667  0.580  1.0
  Te  Te19  1  0.733  0.333  0.420  1.0
  Te  Te20  1  0.751  0.850  0.407  1.0
  Te  Te21  1  0.249  0.150  0.593  1.0
  Te  Te22  1  0.257  0.012  0.253  1.0
  Te  Te23  1  0.743  0.988  0.747  1.0
[/CIF]
.