The material structure described by Li4GeS4 is Aluminum carbonitride-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one S(1), one S(2), and two equivalent S(4) atoms to form distorted LiS4 tetrahedra that share corners with two equivalent Li(1)S4 tetrahedra, corners with two equivalent Li(2)S4 tetrahedra, corners with four equivalent Li(3)S4 tetrahedra, and corners with four equivalent Ge(1)S4 tetrahedra. In the second Li site, Li(2) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form distorted LiS4 tetrahedra that share corners with two equivalent Li(1)S4 tetrahedra, corners with two equivalent Li(2)S4 tetrahedra, corners with four equivalent Li(3)S4 tetrahedra, and corners with four equivalent Ge(1)S4 tetrahedra. In the third Li site, Li(3) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form LiS4 tetrahedra that share corners with two equivalent Ge(1)S4 tetrahedra, corners with four equivalent Li(1)S4 tetrahedra, corners with four equivalent Li(2)S4 tetrahedra, and  an edgeedge with one Ge(1)S4 tetrahedra. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one S(3), one S(4), two equivalent S(1), and two equivalent S(2) atoms. Ge(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form GeS4 tetrahedra that share corners with two equivalent Li(3)S4 tetrahedra, corners with four equivalent Li(1)S4 tetrahedra, corners with four equivalent Li(2)S4 tetrahedra, and  an edgeedge with one Li(3)S4 tetrahedra. There are four inequivalent S sites. In the first S site, S(4) is bonded to one Li(3), one Li(4), two equivalent Li(1), and one Ge(1) atom to form distorted corner-sharing SLi4Ge trigonal bipyramids. In the second S site, S(1) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(3), two equivalent Li(4), and one Ge(1) atom. In the third S site, S(2) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(3), two equivalent Li(4), and one Ge(1) atom. In the fourth S site, S(3) is bonded to one Li(3), one Li(4), two equivalent Li(2), and one Ge(1) atom to form distorted corner-sharing SLi4Ge trigonal bipyramids. is represented by the CIF file [CIF]
data_Li4GeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.164
_cell_length_b   7.725
_cell_length_c   14.031
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   668.107
_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
  Li  Li0  1  0.183  0.248  0.573  1.0
  Li  Li1  1  0.317  0.752  0.073  1.0
  Li  Li2  1  0.817  0.748  0.927  1.0
  Li  Li3  1  0.683  0.252  0.427  1.0
  Li  Li4  1  0.810  0.249  0.928  1.0
  Li  Li5  1  0.690  0.751  0.428  1.0
  Li  Li6  1  0.190  0.749  0.572  1.0
  Li  Li7  1  0.310  0.251  0.072  1.0
  Li  Li8  1  0.373  0.004  0.836  1.0
  Li  Li9  1  0.127  0.996  0.336  1.0
  Li  Li10  1  0.627  0.504  0.664  1.0
  Li  Li11  1  0.873  0.496  0.164  1.0
  Li  Li12  1  0.014  0.761  0.749  1.0
  Li  Li13  1  0.486  0.239  0.249  1.0
  Li  Li14  1  0.986  0.261  0.751  1.0
  Li  Li15  1  0.514  0.739  0.251  1.0
  Ge  Ge16  1  0.650  0.000  0.661  1.0
  Ge  Ge17  1  0.850  1.000  0.161  1.0
  Ge  Ge18  1  0.350  0.500  0.839  1.0
  Ge  Ge19  1  0.150  0.500  0.339  1.0
  S  S20  1  0.769  0.001  0.812  1.0
  S  S21  1  0.731  0.999  0.312  1.0
  S  S22  1  0.231  0.501  0.688  1.0
  S  S23  1  0.269  0.499  0.188  1.0
  S  S24  1  0.292  0.999  0.664  1.0
  S  S25  1  0.208  0.001  0.164  1.0
  S  S26  1  0.708  0.499  0.836  1.0
  S  S27  1  0.792  0.501  0.336  1.0
  S  S28  1  0.785  0.765  0.594  1.0
  S  S29  1  0.715  0.235  0.094  1.0
  S  S30  1  0.215  0.265  0.906  1.0
  S  S31  1  0.285  0.735  0.406  1.0
  S  S32  1  0.220  0.738  0.906  1.0
  S  S33  1  0.280  0.262  0.406  1.0
  S  S34  1  0.780  0.238  0.594  1.0
  S  S35  1  0.720  0.762  0.094  1.0
[/CIF]
.
The material structure described by Li4GeS4 is Aluminum carbonitride-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one S(1), one S(2), and two equivalent S(4) atoms to form distorted LiS4 tetrahedra that share corners with two equivalent Li(1)S4 tetrahedra, corners with two equivalent Li(2)S4 tetrahedra, corners with four equivalent Li(3)S4 tetrahedra, and corners with four equivalent Ge(1)S4 tetrahedra. In the second Li site, Li(2) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form distorted LiS4 tetrahedra that share corners with two equivalent Li(1)S4 tetrahedra, corners with two equivalent Li(2)S4 tetrahedra, corners with four equivalent Li(3)S4 tetrahedra, and corners with four equivalent Ge(1)S4 tetrahedra. In the third Li site, Li(3) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form LiS4 tetrahedra that share corners with two equivalent Ge(1)S4 tetrahedra, corners with four equivalent Li(1)S4 tetrahedra, corners with four equivalent Li(2)S4 tetrahedra, and  an edgeedge with one Ge(1)S4 tetrahedra. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one S(3), one S(4), two equivalent S(1), and two equivalent S(2) atoms. Ge(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form GeS4 tetrahedra that share corners with two equivalent Li(3)S4 tetrahedra, corners with four equivalent Li(1)S4 tetrahedra, corners with four equivalent Li(2)S4 tetrahedra, and  an edgeedge with one Li(3)S4 tetrahedra. There are four inequivalent S sites. In the first S site, S(4) is bonded to one Li(3), one Li(4), two equivalent Li(1), and one Ge(1) atom to form distorted corner-sharing SLi4Ge trigonal bipyramids. In the second S site, S(1) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(3), two equivalent Li(4), and one Ge(1) atom. In the third S site, S(2) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(3), two equivalent Li(4), and one Ge(1) atom. In the fourth S site, S(3) is bonded to one Li(3), one Li(4), two equivalent Li(2), and one Ge(1) atom to form distorted corner-sharing SLi4Ge trigonal bipyramids. is represented by the CIF file [CIF]
data_Li4GeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.164
_cell_length_b   7.725
_cell_length_c   14.031
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   668.107
_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
  Li  Li0  1  0.183  0.248  0.573  1.0
  Li  Li1  1  0.317  0.752  0.073  1.0
  Li  Li2  1  0.817  0.748  0.927  1.0
  Li  Li3  1  0.683  0.252  0.427  1.0
  Li  Li4  1  0.810  0.249  0.928  1.0
  Li  Li5  1  0.690  0.751  0.428  1.0
  Li  Li6  1  0.190  0.749  0.572  1.0
  Li  Li7  1  0.310  0.251  0.072  1.0
  Li  Li8  1  0.373  0.004  0.836  1.0
  Li  Li9  1  0.127  0.996  0.336  1.0
  Li  Li10  1  0.627  0.504  0.664  1.0
  Li  Li11  1  0.873  0.496  0.164  1.0
  Li  Li12  1  0.014  0.761  0.749  1.0
  Li  Li13  1  0.486  0.239  0.249  1.0
  Li  Li14  1  0.986  0.261  0.751  1.0
  Li  Li15  1  0.514  0.739  0.251  1.0
  Ge  Ge16  1  0.650  0.000  0.661  1.0
  Ge  Ge17  1  0.850  1.000  0.161  1.0
  Ge  Ge18  1  0.350  0.500  0.839  1.0
  Ge  Ge19  1  0.150  0.500  0.339  1.0
  S  S20  1  0.769  0.001  0.812  1.0
  S  S21  1  0.731  0.999  0.312  1.0
  S  S22  1  0.231  0.501  0.688  1.0
  S  S23  1  0.269  0.499  0.188  1.0
  S  S24  1  0.292  0.999  0.664  1.0
  S  S25  1  0.208  0.001  0.164  1.0
  S  S26  1  0.708  0.499  0.836  1.0
  S  S27  1  0.792  0.501  0.336  1.0
  S  S28  1  0.785  0.765  0.594  1.0
  S  S29  1  0.715  0.235  0.094  1.0
  S  S30  1  0.215  0.265  0.906  1.0
  S  S31  1  0.285  0.735  0.406  1.0
  S  S32  1  0.220  0.738  0.906  1.0
  S  S33  1  0.280  0.262  0.406  1.0
  S  S34  1  0.780  0.238  0.594  1.0
  S  S35  1  0.720  0.762  0.094  1.0
[/CIF]
.