The crystal structure described by Li14Mn2S9 crystallizes in the trigonal P-3 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form distorted LiS4 tetrahedra that share  a cornercorner with one Li(3)S4 tetrahedra,  a cornercorner with one Mn(1)S4 tetrahedra, corners with four equivalent Li(2)S4 tetrahedra, corners with nine equivalent Li(1)S4 tetrahedra,  an edgeedge with one Li(3)S4 tetrahedra,  an edgeedge with one Mn(1)S4 tetrahedra, and edges with three equivalent Li(1)S4 tetrahedra. In the second Li site, Li(2) is bonded to four equivalent S(1) atoms to form distorted LiS4 tetrahedra that share corners with two equivalent Li(3)S4 tetrahedra, corners with two equivalent Mn(1)S4 tetrahedra, corners with four equivalent Li(1)S4 tetrahedra, corners with six equivalent Li(2)S4 tetrahedra,  an edgeedge with one Li(3)S4 tetrahedra,  an edgeedge with one Mn(1)S4 tetrahedra, and edges with three equivalent Li(2)S4 tetrahedra. In the third Li site, Li(3) is bonded to one S(3) and three equivalent S(1) atoms to form LiS4 tetrahedra that share  a cornercorner with one Li(3)S4 tetrahedra, corners with three equivalent Li(1)S4 tetrahedra, corners with three equivalent Mn(1)S4 tetrahedra, corners with six equivalent Li(2)S4 tetrahedra, edges with three equivalent Li(1)S4 tetrahedra, and edges with three equivalent Li(2)S4 tetrahedra. Mn(1) is bonded to one S(2) and three equivalent S(1) atoms to form MnS4 tetrahedra that share corners with three equivalent Li(1)S4 tetrahedra, corners with three equivalent Li(3)S4 tetrahedra, corners with six equivalent Li(2)S4 tetrahedra, edges with three equivalent Li(1)S4 tetrahedra, and edges with three equivalent Li(2)S4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Li(1), one Li(3), four equivalent Li(2), and one Mn(1) atom to form a mixture of distorted edge and corner-sharing SLi6Mn hexagonal pyramids. In the second S site, S(2) is bonded in a 7-coordinate geometry to six equivalent Li(1) and one Mn(1) atom. In the third S site, S(3) is bonded in a body-centered cubic geometry to two equivalent Li(3) and six equivalent Li(1) atoms. is represented by the CIF file [CIF]
data_Li14Mn2S9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.029
_cell_length_b   7.029
_cell_length_c   9.844
_cell_angle_alpha   90.002
_cell_angle_beta   89.999
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   421.233
_cell_formula_units_Z   1
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  0.022  0.677  0.412  1.0
  Li  Li1  1  0.323  0.962  0.090  1.0
  Li  Li2  1  0.038  0.361  0.090  1.0
  Li  Li3  1  1.000  1.000  0.753  1.0
  Li  Li4  1  0.000  0.000  0.247  1.0
  Li  Li5  1  0.323  0.345  0.412  1.0
  Li  Li6  1  0.655  0.978  0.412  1.0
  Li  Li7  1  0.361  0.323  0.910  1.0
  Li  Li8  1  0.639  0.677  0.090  1.0
  Li  Li9  1  0.345  0.022  0.588  1.0
  Li  Li10  1  0.677  0.655  0.588  1.0
  Li  Li11  1  0.962  0.639  0.910  1.0
  Li  Li12  1  0.677  0.038  0.910  1.0
  Li  Li13  1  0.978  0.323  0.588  1.0
  Mn  Mn14  1  0.333  0.667  0.756  1.0
  Mn  Mn15  1  0.667  0.333  0.244  1.0
  S  S16  1  0.312  0.974  0.838  1.0
  S  S17  1  0.026  0.337  0.838  1.0
  S  S18  1  0.333  0.667  0.513  1.0
  S  S19  1  1.000  1.000  0.500  1.0
  S  S20  1  0.337  0.312  0.162  1.0
  S  S21  1  0.663  0.688  0.838  1.0
  S  S22  1  0.667  0.333  0.487  1.0
  S  S23  1  0.974  0.663  0.162  1.0
  S  S24  1  0.688  0.026  0.162  1.0
[/CIF]
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The crystal structure described by Li14Mn2S9 crystallizes in the trigonal P-3 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form distorted LiS4 tetrahedra that share  a cornercorner with one Li(3)S4 tetrahedra,  a cornercorner with one Mn(1)S4 tetrahedra, corners with four equivalent Li(2)S4 tetrahedra, corners with nine equivalent Li(1)S4 tetrahedra,  an edgeedge with one Li(3)S4 tetrahedra,  an edgeedge with one Mn(1)S4 tetrahedra, and edges with three equivalent Li(1)S4 tetrahedra. In the second Li site, Li(2) is bonded to four equivalent S(1) atoms to form distorted LiS4 tetrahedra that share corners with two equivalent Li(3)S4 tetrahedra, corners with two equivalent Mn(1)S4 tetrahedra, corners with four equivalent Li(1)S4 tetrahedra, corners with six equivalent Li(2)S4 tetrahedra,  an edgeedge with one Li(3)S4 tetrahedra,  an edgeedge with one Mn(1)S4 tetrahedra, and edges with three equivalent Li(2)S4 tetrahedra. In the third Li site, Li(3) is bonded to one S(3) and three equivalent S(1) atoms to form LiS4 tetrahedra that share  a cornercorner with one Li(3)S4 tetrahedra, corners with three equivalent Li(1)S4 tetrahedra, corners with three equivalent Mn(1)S4 tetrahedra, corners with six equivalent Li(2)S4 tetrahedra, edges with three equivalent Li(1)S4 tetrahedra, and edges with three equivalent Li(2)S4 tetrahedra. Mn(1) is bonded to one S(2) and three equivalent S(1) atoms to form MnS4 tetrahedra that share corners with three equivalent Li(1)S4 tetrahedra, corners with three equivalent Li(3)S4 tetrahedra, corners with six equivalent Li(2)S4 tetrahedra, edges with three equivalent Li(1)S4 tetrahedra, and edges with three equivalent Li(2)S4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Li(1), one Li(3), four equivalent Li(2), and one Mn(1) atom to form a mixture of distorted edge and corner-sharing SLi6Mn hexagonal pyramids. In the second S site, S(2) is bonded in a 7-coordinate geometry to six equivalent Li(1) and one Mn(1) atom. In the third S site, S(3) is bonded in a body-centered cubic geometry to two equivalent Li(3) and six equivalent Li(1) atoms. is represented by the CIF file [CIF]
data_Li14Mn2S9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.029
_cell_length_b   7.029
_cell_length_c   9.844
_cell_angle_alpha   90.002
_cell_angle_beta   89.999
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   421.233
_cell_formula_units_Z   1
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  0.022  0.677  0.412  1.0
  Li  Li1  1  0.323  0.962  0.090  1.0
  Li  Li2  1  0.038  0.361  0.090  1.0
  Li  Li3  1  1.000  1.000  0.753  1.0
  Li  Li4  1  0.000  0.000  0.247  1.0
  Li  Li5  1  0.323  0.345  0.412  1.0
  Li  Li6  1  0.655  0.978  0.412  1.0
  Li  Li7  1  0.361  0.323  0.910  1.0
  Li  Li8  1  0.639  0.677  0.090  1.0
  Li  Li9  1  0.345  0.022  0.588  1.0
  Li  Li10  1  0.677  0.655  0.588  1.0
  Li  Li11  1  0.962  0.639  0.910  1.0
  Li  Li12  1  0.677  0.038  0.910  1.0
  Li  Li13  1  0.978  0.323  0.588  1.0
  Mn  Mn14  1  0.333  0.667  0.756  1.0
  Mn  Mn15  1  0.667  0.333  0.244  1.0
  S  S16  1  0.312  0.974  0.838  1.0
  S  S17  1  0.026  0.337  0.838  1.0
  S  S18  1  0.333  0.667  0.513  1.0
  S  S19  1  1.000  1.000  0.500  1.0
  S  S20  1  0.337  0.312  0.162  1.0
  S  S21  1  0.663  0.688  0.838  1.0
  S  S22  1  0.667  0.333  0.487  1.0
  S  S23  1  0.974  0.663  0.162  1.0
  S  S24  1  0.688  0.026  0.162  1.0
[/CIF]
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