The crystal structure described by Li7P3S11 crystallizes in the triclinic P-1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded to one S(1), one S(11), one S(8), and two equivalent S(5) atoms to form distorted LiS5 trigonal bipyramids that share  a cornercorner with one P(2)S4 tetrahedra, corners with two equivalent P(1)S4 tetrahedra, corners with three equivalent Li(6)S4 tetrahedra,  a cornercorner with one Li(4)S4 trigonal pyramid,  an edgeedge with one Li(5)S4 tetrahedra,  an edgeedge with one P(3)S4 tetrahedra, and  an edgeedge with one Li(1)S5 trigonal bipyramid. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one S(1), one S(6), one S(7), and one S(8) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one S(2), one S(3), one S(4), and one S(9) atom. In the fourth Li site, Li(4) is bonded to one S(10), one S(7), one S(8), and one S(9) atom to form distorted LiS4 trigonal pyramids that share  a cornercorner with one Li(5)S4 tetrahedra,  a cornercorner with one Li(6)S4 tetrahedra,  a cornercorner with one P(1)S4 tetrahedra, corners with three equivalent P(3)S4 tetrahedra,  a cornercorner with one Li(1)S5 trigonal bipyramid, and  an edgeedge with one Li(7)S5 square pyramid. In the fifth Li site, Li(5) is bonded to one S(1), one S(11), one S(4), and one S(7) atom to form distorted LiS4 tetrahedra that share  a cornercorner with one Li(6)S4 tetrahedra, corners with two equivalent P(2)S4 tetrahedra,  a cornercorner with one Li(4)S4 trigonal pyramid,  an edgeedge with one P(3)S4 tetrahedra, and  an edgeedge with one Li(1)S5 trigonal bipyramid. In the sixth Li site, Li(6) is bonded to one S(10), one S(11), one S(2), and one S(5) atom to form distorted LiS4 tetrahedra that share  a cornercorner with one Li(5)S4 tetrahedra, corners with two equivalent P(1)S4 tetrahedra, corners with three equivalent Li(1)S5 trigonal bipyramids,  a cornercorner with one Li(4)S4 trigonal pyramid,  an edgeedge with one Li(7)S5 square pyramid, and  an edgeedge with one P(3)S4 tetrahedra. In the seventh Li site, Li(7) is bonded to one S(10), one S(2), one S(3), one S(6), and one S(9) atom to form distorted LiS5 square pyramids that share  a cornercorner with one P(3)S4 tetrahedra, corners with three equivalent P(1)S4 tetrahedra,  an edgeedge with one Li(6)S4 tetrahedra,  an edgeedge with one P(2)S4 tetrahedra, and  an edgeedge with one Li(4)S4 trigonal pyramid. There are three inequivalent P sites. In the first P site, P(1) is bonded to one S(2), one S(3), one S(5), and one S(9) atom to form PS4 tetrahedra that share corners with three equivalent Li(7)S5 square pyramids,  a cornercorner with one P(2)S4 tetrahedra, corners with two equivalent Li(6)S4 tetrahedra, corners with two equivalent Li(1)S5 trigonal bipyramids, and  a cornercorner with one Li(4)S4 trigonal pyramid. In the second P site, P(2) is bonded to one S(1), one S(3), one S(4), and one S(6) atom to form PS4 tetrahedra that share  a cornercorner with one P(1)S4 tetrahedra, corners with two equivalent Li(5)S4 tetrahedra,  a cornercorner with one Li(1)S5 trigonal bipyramid, and  an edgeedge with one Li(7)S5 square pyramid. In the third P site, P(3) is bonded to one S(10), one S(11), one S(7), and one S(8) atom to form PS4 tetrahedra that share  a cornercorner with one Li(7)S5 square pyramid, corners with three equivalent Li(4)S4 trigonal pyramids,  an edgeedge with one Li(5)S4 tetrahedra,  an edgeedge with one Li(6)S4 tetrahedra, and  an edgeedge with one Li(1)S5 trigonal bipyramid. There are eleven inequivalent S sites. In the first S site, S(1) is bonded to one Li(1), one Li(2), one Li(5), and one P(2) atom to form a mixture of edge and corner-sharing SLi3P trigonal pyramids. In the second S site, S(2) is bonded to one Li(3), one Li(6), one Li(7), and one P(1) atom to form distorted corner-sharing SLi3P tetrahedra. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Li(3), one Li(7), one P(1), and one P(2) atom. In the fourth S site, S(4) is bonded in a trigonal non-coplanar geometry to one Li(3), one Li(5), and one P(2) atom. In the fifth S site, S(5) is bonded to one Li(6), two equivalent Li(1), and one P(1) atom to form a mixture of distorted edge and corner-sharing SLi3P trigonal pyramids. In the sixth S site, S(6) is bonded in a trigonal non-coplanar geometry to one Li(2), one Li(7), and one P(2) atom. In the seventh S site, S(7) is bonded in a see-saw-like geometry to one Li(2), one Li(4), one Li(5), and one P(3) atom. In the eighth S site, S(8) is bonded to one Li(1), one Li(2), one Li(4), and one P(3) atom to form a mixture of distorted edge and corner-sharing SLi3P trigonal pyramids. In the ninth S site, S(9) is bonded to one Li(3), one Li(4), one Li(7), and one P(1) atom to form corner-sharing SLi3P tetrahedra. In the tenth S site, S(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Li(6), one Li(7), and one P(3) atom. In the eleventh S site, S(11) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(5), one Li(6), and one P(3) atom. is represented by the CIF file [CIF]
data_Li7P3S11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.189
_cell_length_b   12.628
_cell_length_c   12.673
_cell_angle_alpha   107.483
_cell_angle_beta   103.552
_cell_angle_gamma   101.860
_symmetry_Int_Tables_number   1
_cell_volume   876.767
_cell_formula_units_Z   2
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  0.735  0.668  0.104  1.0
  Li  Li1  1  0.213  0.036  0.754  1.0
  Li  Li2  1  0.624  0.343  0.508  1.0
  Li  Li3  1  0.577  0.865  0.879  1.0
  Li  Li4  1  0.696  0.179  0.705  1.0
  Li  Li5  1  0.304  0.821  0.295  1.0
  Li  Li6  1  0.787  0.964  0.246  1.0
  Li  Li7  1  0.863  0.383  0.113  1.0
  Li  Li8  1  0.986  0.681  0.680  1.0
  Li  Li9  1  0.137  0.617  0.887  1.0
  Li  Li10  1  0.265  0.332  0.896  1.0
  Li  Li11  1  0.423  0.135  0.121  1.0
  Li  Li12  1  0.376  0.657  0.492  1.0
  Li  Li13  1  0.014  0.319  0.320  1.0
  P  P14  1  0.512  0.476  0.278  1.0
  P  P15  1  0.830  0.788  0.454  1.0
  P  P16  1  0.877  0.167  0.944  1.0
  P  P17  1  0.123  0.833  0.056  1.0
  P  P18  1  0.488  0.524  0.722  1.0
  P  P19  1  0.170  0.212  0.546  1.0
  S  S20  1  0.908  0.816  0.317  1.0
  S  S21  1  0.204  0.502  0.295  1.0
  S  S22  1  0.781  0.604  0.431  1.0
  S  S23  1  0.444  0.160  0.517  1.0
  S  S24  1  0.562  0.482  0.128  1.0
  S  S25  1  0.438  0.518  0.872  1.0
  S  S26  1  0.556  0.840  0.483  1.0
  S  S27  1  0.105  0.837  0.601  1.0
  S  S28  1  0.364  0.971  0.196  1.0
  S  S29  1  0.205  0.154  0.949  1.0
  S  S30  1  0.571  0.331  0.307  1.0
  S  S31  1  0.895  0.163  0.399  1.0
  S  S32  1  0.219  0.396  0.569  1.0
  S  S33  1  0.828  0.177  0.101  1.0
  S  S34  1  0.636  0.029  0.804  1.0
  S  S35  1  0.795  0.846  0.051  1.0
  S  S36  1  0.092  0.184  0.683  1.0
  S  S37  1  0.855  0.317  0.913  1.0
  S  S38  1  0.796  0.498  0.705  1.0
  S  S39  1  0.429  0.669  0.693  1.0
  S  S40  1  0.172  0.823  0.899  1.0
  S  S41  1  0.145  0.683  0.087  1.0
[/CIF]
.
The crystal structure described by Li7P3S11 crystallizes in the triclinic P-1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded to one S(1), one S(11), one S(8), and two equivalent S(5) atoms to form distorted LiS5 trigonal bipyramids that share  a cornercorner with one P(2)S4 tetrahedra, corners with two equivalent P(1)S4 tetrahedra, corners with three equivalent Li(6)S4 tetrahedra,  a cornercorner with one Li(4)S4 trigonal pyramid,  an edgeedge with one Li(5)S4 tetrahedra,  an edgeedge with one P(3)S4 tetrahedra, and  an edgeedge with one Li(1)S5 trigonal bipyramid. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one S(1), one S(6), one S(7), and one S(8) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one S(2), one S(3), one S(4), and one S(9) atom. In the fourth Li site, Li(4) is bonded to one S(10), one S(7), one S(8), and one S(9) atom to form distorted LiS4 trigonal pyramids that share  a cornercorner with one Li(5)S4 tetrahedra,  a cornercorner with one Li(6)S4 tetrahedra,  a cornercorner with one P(1)S4 tetrahedra, corners with three equivalent P(3)S4 tetrahedra,  a cornercorner with one Li(1)S5 trigonal bipyramid, and  an edgeedge with one Li(7)S5 square pyramid. In the fifth Li site, Li(5) is bonded to one S(1), one S(11), one S(4), and one S(7) atom to form distorted LiS4 tetrahedra that share  a cornercorner with one Li(6)S4 tetrahedra, corners with two equivalent P(2)S4 tetrahedra,  a cornercorner with one Li(4)S4 trigonal pyramid,  an edgeedge with one P(3)S4 tetrahedra, and  an edgeedge with one Li(1)S5 trigonal bipyramid. In the sixth Li site, Li(6) is bonded to one S(10), one S(11), one S(2), and one S(5) atom to form distorted LiS4 tetrahedra that share  a cornercorner with one Li(5)S4 tetrahedra, corners with two equivalent P(1)S4 tetrahedra, corners with three equivalent Li(1)S5 trigonal bipyramids,  a cornercorner with one Li(4)S4 trigonal pyramid,  an edgeedge with one Li(7)S5 square pyramid, and  an edgeedge with one P(3)S4 tetrahedra. In the seventh Li site, Li(7) is bonded to one S(10), one S(2), one S(3), one S(6), and one S(9) atom to form distorted LiS5 square pyramids that share  a cornercorner with one P(3)S4 tetrahedra, corners with three equivalent P(1)S4 tetrahedra,  an edgeedge with one Li(6)S4 tetrahedra,  an edgeedge with one P(2)S4 tetrahedra, and  an edgeedge with one Li(4)S4 trigonal pyramid. There are three inequivalent P sites. In the first P site, P(1) is bonded to one S(2), one S(3), one S(5), and one S(9) atom to form PS4 tetrahedra that share corners with three equivalent Li(7)S5 square pyramids,  a cornercorner with one P(2)S4 tetrahedra, corners with two equivalent Li(6)S4 tetrahedra, corners with two equivalent Li(1)S5 trigonal bipyramids, and  a cornercorner with one Li(4)S4 trigonal pyramid. In the second P site, P(2) is bonded to one S(1), one S(3), one S(4), and one S(6) atom to form PS4 tetrahedra that share  a cornercorner with one P(1)S4 tetrahedra, corners with two equivalent Li(5)S4 tetrahedra,  a cornercorner with one Li(1)S5 trigonal bipyramid, and  an edgeedge with one Li(7)S5 square pyramid. In the third P site, P(3) is bonded to one S(10), one S(11), one S(7), and one S(8) atom to form PS4 tetrahedra that share  a cornercorner with one Li(7)S5 square pyramid, corners with three equivalent Li(4)S4 trigonal pyramids,  an edgeedge with one Li(5)S4 tetrahedra,  an edgeedge with one Li(6)S4 tetrahedra, and  an edgeedge with one Li(1)S5 trigonal bipyramid. There are eleven inequivalent S sites. In the first S site, S(1) is bonded to one Li(1), one Li(2), one Li(5), and one P(2) atom to form a mixture of edge and corner-sharing SLi3P trigonal pyramids. In the second S site, S(2) is bonded to one Li(3), one Li(6), one Li(7), and one P(1) atom to form distorted corner-sharing SLi3P tetrahedra. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Li(3), one Li(7), one P(1), and one P(2) atom. In the fourth S site, S(4) is bonded in a trigonal non-coplanar geometry to one Li(3), one Li(5), and one P(2) atom. In the fifth S site, S(5) is bonded to one Li(6), two equivalent Li(1), and one P(1) atom to form a mixture of distorted edge and corner-sharing SLi3P trigonal pyramids. In the sixth S site, S(6) is bonded in a trigonal non-coplanar geometry to one Li(2), one Li(7), and one P(2) atom. In the seventh S site, S(7) is bonded in a see-saw-like geometry to one Li(2), one Li(4), one Li(5), and one P(3) atom. In the eighth S site, S(8) is bonded to one Li(1), one Li(2), one Li(4), and one P(3) atom to form a mixture of distorted edge and corner-sharing SLi3P trigonal pyramids. In the ninth S site, S(9) is bonded to one Li(3), one Li(4), one Li(7), and one P(1) atom to form corner-sharing SLi3P tetrahedra. In the tenth S site, S(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Li(6), one Li(7), and one P(3) atom. In the eleventh S site, S(11) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(5), one Li(6), and one P(3) atom. is represented by the CIF file [CIF]
data_Li7P3S11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.189
_cell_length_b   12.628
_cell_length_c   12.673
_cell_angle_alpha   107.483
_cell_angle_beta   103.552
_cell_angle_gamma   101.860
_symmetry_Int_Tables_number   1
_cell_volume   876.767
_cell_formula_units_Z   2
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  0.735  0.668  0.104  1.0
  Li  Li1  1  0.213  0.036  0.754  1.0
  Li  Li2  1  0.624  0.343  0.508  1.0
  Li  Li3  1  0.577  0.865  0.879  1.0
  Li  Li4  1  0.696  0.179  0.705  1.0
  Li  Li5  1  0.304  0.821  0.295  1.0
  Li  Li6  1  0.787  0.964  0.246  1.0
  Li  Li7  1  0.863  0.383  0.113  1.0
  Li  Li8  1  0.986  0.681  0.680  1.0
  Li  Li9  1  0.137  0.617  0.887  1.0
  Li  Li10  1  0.265  0.332  0.896  1.0
  Li  Li11  1  0.423  0.135  0.121  1.0
  Li  Li12  1  0.376  0.657  0.492  1.0
  Li  Li13  1  0.014  0.319  0.320  1.0
  P  P14  1  0.512  0.476  0.278  1.0
  P  P15  1  0.830  0.788  0.454  1.0
  P  P16  1  0.877  0.167  0.944  1.0
  P  P17  1  0.123  0.833  0.056  1.0
  P  P18  1  0.488  0.524  0.722  1.0
  P  P19  1  0.170  0.212  0.546  1.0
  S  S20  1  0.908  0.816  0.317  1.0
  S  S21  1  0.204  0.502  0.295  1.0
  S  S22  1  0.781  0.604  0.431  1.0
  S  S23  1  0.444  0.160  0.517  1.0
  S  S24  1  0.562  0.482  0.128  1.0
  S  S25  1  0.438  0.518  0.872  1.0
  S  S26  1  0.556  0.840  0.483  1.0
  S  S27  1  0.105  0.837  0.601  1.0
  S  S28  1  0.364  0.971  0.196  1.0
  S  S29  1  0.205  0.154  0.949  1.0
  S  S30  1  0.571  0.331  0.307  1.0
  S  S31  1  0.895  0.163  0.399  1.0
  S  S32  1  0.219  0.396  0.569  1.0
  S  S33  1  0.828  0.177  0.101  1.0
  S  S34  1  0.636  0.029  0.804  1.0
  S  S35  1  0.795  0.846  0.051  1.0
  S  S36  1  0.092  0.184  0.683  1.0
  S  S37  1  0.855  0.317  0.913  1.0
  S  S38  1  0.796  0.498  0.705  1.0
  S  S39  1  0.429  0.669  0.693  1.0
  S  S40  1  0.172  0.823  0.899  1.0
  S  S41  1  0.145  0.683  0.087  1.0
[/CIF]
.