The structure described by Li10Cu4S9 crystallizes in the tetragonal P4_2/nmc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form distorted LiS4 tetrahedra that share corners with two equivalent Li(2)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, corners with six equivalent Li(1)S4 tetrahedra,  an edgeedge with one Li(2)S4 tetrahedra,  an edgeedge with one Cu(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(2) atoms to form LiS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra, corners with eight equivalent Li(1)S4 tetrahedra, edges with two equivalent Li(2)S4 tetrahedra, and edges with four equivalent Li(1)S4 tetrahedra. Cu(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form CuS4 tetrahedra that share corners with two equivalent Li(2)S4 tetrahedra, corners with five equivalent Cu(1)S4 tetrahedra, corners with eight equivalent Li(1)S4 tetrahedra, and edges with two equivalent Li(1)S4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to four equivalent Li(1) and two equivalent Cu(1) atoms to form distorted SLi4Cu2 octahedra that share corners with two equivalent S(1)Li4Cu2 octahedra, corners with two equivalent S(2)Li6Cu pentagonal bipyramids, corners with two equivalent S(3)Cu4 tetrahedra, edges with two equivalent S(1)Li4Cu2 octahedra, and edges with four equivalent S(2)Li6Cu pentagonal bipyramids. The corner-sharing octahedral tilt angles are 73°. In the second S site, S(2) is bonded to two equivalent Li(2), four equivalent Li(1), and one Cu(1) atom to form distorted SLi6Cu pentagonal bipyramids that share corners with two equivalent S(1)Li4Cu2 octahedra,  a cornercorner with one S(3)Cu4 tetrahedra, edges with four equivalent S(1)Li4Cu2 octahedra, and edges with five equivalent S(2)Li6Cu pentagonal bipyramids. The corner-sharing octahedral tilt angles are 56°. In the third S site, S(3) is bonded to four equivalent Cu(1) atoms to form SCu4 tetrahedra that share corners with eight equivalent S(1)Li4Cu2 octahedra and corners with four equivalent S(2)Li6Cu pentagonal bipyramids. The corner-sharing octahedral tilt angles are 67°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li10Cu4S9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.592
_cell_length_b   11.592
_cell_length_c   5.659
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   760.395
_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  0.149  0.315  0.215  1.0
  Li  Li1  1  0.851  0.315  0.215  1.0
  Li  Li2  1  0.815  0.351  0.715  1.0
  Li  Li3  1  0.185  0.351  0.715  1.0
  Li  Li4  1  0.000  0.500  0.174  1.0
  Li  Li5  1  0.000  0.500  0.674  1.0
  Li  Li6  1  0.815  0.649  0.715  1.0
  Li  Li7  1  0.185  0.649  0.715  1.0
  Li  Li8  1  0.851  0.685  0.215  1.0
  Li  Li9  1  0.149  0.685  0.215  1.0
  Li  Li10  1  0.351  0.815  0.285  1.0
  Li  Li11  1  0.649  0.815  0.285  1.0
  Li  Li12  1  0.315  0.851  0.785  1.0
  Li  Li13  1  0.685  0.851  0.785  1.0
  Li  Li14  1  0.500  0.000  0.826  1.0
  Li  Li15  1  0.500  0.000  0.326  1.0
  Li  Li16  1  0.685  0.149  0.785  1.0
  Li  Li17  1  0.315  0.149  0.785  1.0
  Li  Li18  1  0.351  0.185  0.285  1.0
  Li  Li19  1  0.649  0.185  0.285  1.0
  Cu  Cu20  1  0.500  0.346  0.756  1.0
  Cu  Cu21  1  0.654  0.500  0.244  1.0
  Cu  Cu22  1  0.346  0.500  0.244  1.0
  Cu  Cu23  1  0.500  0.654  0.756  1.0
  Cu  Cu24  1  0.000  0.846  0.744  1.0
  Cu  Cu25  1  0.846  0.000  0.256  1.0
  Cu  Cu26  1  0.154  0.000  0.256  1.0
  Cu  Cu27  1  0.000  0.154  0.744  1.0
  S  S28  1  0.340  0.340  0.000  1.0
  S  S29  1  0.660  0.340  0.000  1.0
  S  S30  1  0.000  0.333  0.924  1.0
  S  S31  1  0.500  0.500  0.500  1.0
  S  S32  1  0.833  0.500  0.424  1.0
  S  S33  1  0.167  0.500  0.424  1.0
  S  S34  1  0.000  0.667  0.924  1.0
  S  S35  1  0.340  0.660  0.000  1.0
  S  S36  1  0.660  0.660  0.000  1.0
  S  S37  1  0.840  0.840  0.500  1.0
  S  S38  1  0.160  0.840  0.500  1.0
  S  S39  1  0.500  0.833  0.576  1.0
  S  S40  1  0.667  0.000  0.076  1.0
  S  S41  1  0.000  0.000  0.000  1.0
  S  S42  1  0.333  0.000  0.076  1.0
  S  S43  1  0.500  0.167  0.576  1.0
  S  S44  1  0.840  0.160  0.500  1.0
  S  S45  1  0.160  0.160  0.500  1.0
[/CIF]
.
The structure described by Li10Cu4S9 crystallizes in the tetragonal P4_2/nmc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form distorted LiS4 tetrahedra that share corners with two equivalent Li(2)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, corners with six equivalent Li(1)S4 tetrahedra,  an edgeedge with one Li(2)S4 tetrahedra,  an edgeedge with one Cu(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(2) atoms to form LiS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra, corners with eight equivalent Li(1)S4 tetrahedra, edges with two equivalent Li(2)S4 tetrahedra, and edges with four equivalent Li(1)S4 tetrahedra. Cu(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form CuS4 tetrahedra that share corners with two equivalent Li(2)S4 tetrahedra, corners with five equivalent Cu(1)S4 tetrahedra, corners with eight equivalent Li(1)S4 tetrahedra, and edges with two equivalent Li(1)S4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to four equivalent Li(1) and two equivalent Cu(1) atoms to form distorted SLi4Cu2 octahedra that share corners with two equivalent S(1)Li4Cu2 octahedra, corners with two equivalent S(2)Li6Cu pentagonal bipyramids, corners with two equivalent S(3)Cu4 tetrahedra, edges with two equivalent S(1)Li4Cu2 octahedra, and edges with four equivalent S(2)Li6Cu pentagonal bipyramids. The corner-sharing octahedral tilt angles are 73°. In the second S site, S(2) is bonded to two equivalent Li(2), four equivalent Li(1), and one Cu(1) atom to form distorted SLi6Cu pentagonal bipyramids that share corners with two equivalent S(1)Li4Cu2 octahedra,  a cornercorner with one S(3)Cu4 tetrahedra, edges with four equivalent S(1)Li4Cu2 octahedra, and edges with five equivalent S(2)Li6Cu pentagonal bipyramids. The corner-sharing octahedral tilt angles are 56°. In the third S site, S(3) is bonded to four equivalent Cu(1) atoms to form SCu4 tetrahedra that share corners with eight equivalent S(1)Li4Cu2 octahedra and corners with four equivalent S(2)Li6Cu pentagonal bipyramids. The corner-sharing octahedral tilt angles are 67°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li10Cu4S9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.592
_cell_length_b   11.592
_cell_length_c   5.659
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   760.395
_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  0.149  0.315  0.215  1.0
  Li  Li1  1  0.851  0.315  0.215  1.0
  Li  Li2  1  0.815  0.351  0.715  1.0
  Li  Li3  1  0.185  0.351  0.715  1.0
  Li  Li4  1  0.000  0.500  0.174  1.0
  Li  Li5  1  0.000  0.500  0.674  1.0
  Li  Li6  1  0.815  0.649  0.715  1.0
  Li  Li7  1  0.185  0.649  0.715  1.0
  Li  Li8  1  0.851  0.685  0.215  1.0
  Li  Li9  1  0.149  0.685  0.215  1.0
  Li  Li10  1  0.351  0.815  0.285  1.0
  Li  Li11  1  0.649  0.815  0.285  1.0
  Li  Li12  1  0.315  0.851  0.785  1.0
  Li  Li13  1  0.685  0.851  0.785  1.0
  Li  Li14  1  0.500  0.000  0.826  1.0
  Li  Li15  1  0.500  0.000  0.326  1.0
  Li  Li16  1  0.685  0.149  0.785  1.0
  Li  Li17  1  0.315  0.149  0.785  1.0
  Li  Li18  1  0.351  0.185  0.285  1.0
  Li  Li19  1  0.649  0.185  0.285  1.0
  Cu  Cu20  1  0.500  0.346  0.756  1.0
  Cu  Cu21  1  0.654  0.500  0.244  1.0
  Cu  Cu22  1  0.346  0.500  0.244  1.0
  Cu  Cu23  1  0.500  0.654  0.756  1.0
  Cu  Cu24  1  0.000  0.846  0.744  1.0
  Cu  Cu25  1  0.846  0.000  0.256  1.0
  Cu  Cu26  1  0.154  0.000  0.256  1.0
  Cu  Cu27  1  0.000  0.154  0.744  1.0
  S  S28  1  0.340  0.340  0.000  1.0
  S  S29  1  0.660  0.340  0.000  1.0
  S  S30  1  0.000  0.333  0.924  1.0
  S  S31  1  0.500  0.500  0.500  1.0
  S  S32  1  0.833  0.500  0.424  1.0
  S  S33  1  0.167  0.500  0.424  1.0
  S  S34  1  0.000  0.667  0.924  1.0
  S  S35  1  0.340  0.660  0.000  1.0
  S  S36  1  0.660  0.660  0.000  1.0
  S  S37  1  0.840  0.840  0.500  1.0
  S  S38  1  0.160  0.840  0.500  1.0
  S  S39  1  0.500  0.833  0.576  1.0
  S  S40  1  0.667  0.000  0.076  1.0
  S  S41  1  0.000  0.000  0.000  1.0
  S  S42  1  0.333  0.000  0.076  1.0
  S  S43  1  0.500  0.167  0.576  1.0
  S  S44  1  0.840  0.160  0.500  1.0
  S  S45  1  0.160  0.160  0.500  1.0
[/CIF]
.