The material described by LiNi9S10 is Modderite-derived structured and crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 8-coordinate geometry to two equivalent Ni(4), two equivalent S(1), two equivalent S(4), and two equivalent S(5) atoms. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one S(1), one S(2), two equivalent S(4), and two equivalent S(5) atoms to form a mixture of edge, face, and corner-sharing NiS6 octahedra. The corner-sharing octahedral tilt angles range from 46-50°. In the second Ni site, Ni(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form a mixture of edge, face, and corner-sharing NiS6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the third Ni site, Ni(3) is bonded to one S(1), one S(2), one S(3), one S(4), and two equivalent S(5) atoms to form a mixture of edge, face, and corner-sharing NiS6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the fourth Ni site, Ni(4) is bonded in a 7-coordinate geometry to one Li(1), one S(1), one S(2), one S(4), one S(5), and two equivalent S(3) atoms. In the fifth Ni site, Ni(5) is bonded to one S(1), one S(4), two equivalent S(2), and two equivalent S(3) atoms to form a mixture of edge, face, and corner-sharing NiS6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. There are five inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one Li(1), one Ni(1), one Ni(2), one Ni(3), one Ni(4), and one Ni(5) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Ni(1), one Ni(2), one Ni(3), one Ni(4), and two equivalent Ni(5) atoms. In the third S site, S(3) is bonded in a 6-coordinate geometry to one Ni(2), one Ni(3), two equivalent Ni(4), and two equivalent Ni(5) atoms. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to one Li(1), one Ni(3), one Ni(4), one Ni(5), and two equivalent Ni(1) atoms. In the fifth S site, S(5) is bonded in a 6-coordinate geometry to one Li(1), one Ni(4), two equivalent Ni(1), and two equivalent Ni(3) atoms. is represented by the CIF file [CIF]
data_LiNi9S10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.998
_cell_length_b   8.602
_cell_length_c   11.636
_cell_angle_alpha   64.179
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   540.447
_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  0.000  0.500  0.500  1.0
  Li  Li1  1  0.500  0.500  0.000  1.0
  Ni  Ni2  1  0.495  0.594  0.597  1.0
  Ni  Ni3  1  0.000  0.000  0.500  1.0
  Ni  Ni4  1  0.007  0.701  0.694  1.0
  Ni  Ni5  1  0.501  0.793  0.799  1.0
  Ni  Ni6  1  0.502  0.091  0.598  1.0
  Ni  Ni7  1  0.002  0.909  0.902  1.0
  Ni  Ni8  1  0.001  0.207  0.701  1.0
  Ni  Ni9  1  0.507  0.299  0.806  1.0
  Ni  Ni10  1  0.500  0.000  0.000  1.0
  Ni  Ni11  1  0.998  0.091  0.098  1.0
  Ni  Ni12  1  0.995  0.406  0.903  1.0
  Ni  Ni13  1  0.499  0.207  0.201  1.0
  Ni  Ni14  1  0.993  0.299  0.306  1.0
  Ni  Ni15  1  0.005  0.594  0.097  1.0
  Ni  Ni16  1  0.493  0.701  0.194  1.0
  Ni  Ni17  1  0.505  0.406  0.403  1.0
  Ni  Ni18  1  0.999  0.793  0.299  1.0
  Ni  Ni19  1  0.498  0.909  0.402  1.0
  S  S20  1  0.164  0.767  0.489  1.0
  S  S21  1  0.664  0.835  0.605  1.0
  S  S22  1  0.176  0.954  0.694  1.0
  S  S23  1  0.347  0.337  0.607  1.0
  S  S24  1  0.676  0.046  0.806  1.0
  S  S25  1  0.829  0.443  0.711  1.0
  S  S26  1  0.164  0.165  0.895  1.0
  S  S27  1  0.329  0.557  0.789  1.0
  S  S28  1  0.664  0.233  0.011  1.0
  S  S29  1  0.153  0.337  0.107  1.0
  S  S30  1  0.847  0.663  0.893  1.0
  S  S31  1  0.671  0.443  0.211  1.0
  S  S32  1  0.336  0.767  0.989  1.0
  S  S33  1  0.171  0.557  0.289  1.0
  S  S34  1  0.836  0.835  0.105  1.0
  S  S35  1  0.653  0.663  0.393  1.0
  S  S36  1  0.324  0.954  0.194  1.0
  S  S37  1  0.824  0.046  0.306  1.0
  S  S38  1  0.336  0.165  0.395  1.0
  S  S39  1  0.836  0.233  0.511  1.0
[/CIF]
.
The material described by LiNi9S10 is Modderite-derived structured and crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 8-coordinate geometry to two equivalent Ni(4), two equivalent S(1), two equivalent S(4), and two equivalent S(5) atoms. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one S(1), one S(2), two equivalent S(4), and two equivalent S(5) atoms to form a mixture of edge, face, and corner-sharing NiS6 octahedra. The corner-sharing octahedral tilt angles range from 46-50°. In the second Ni site, Ni(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form a mixture of edge, face, and corner-sharing NiS6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the third Ni site, Ni(3) is bonded to one S(1), one S(2), one S(3), one S(4), and two equivalent S(5) atoms to form a mixture of edge, face, and corner-sharing NiS6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the fourth Ni site, Ni(4) is bonded in a 7-coordinate geometry to one Li(1), one S(1), one S(2), one S(4), one S(5), and two equivalent S(3) atoms. In the fifth Ni site, Ni(5) is bonded to one S(1), one S(4), two equivalent S(2), and two equivalent S(3) atoms to form a mixture of edge, face, and corner-sharing NiS6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. There are five inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one Li(1), one Ni(1), one Ni(2), one Ni(3), one Ni(4), and one Ni(5) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Ni(1), one Ni(2), one Ni(3), one Ni(4), and two equivalent Ni(5) atoms. In the third S site, S(3) is bonded in a 6-coordinate geometry to one Ni(2), one Ni(3), two equivalent Ni(4), and two equivalent Ni(5) atoms. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to one Li(1), one Ni(3), one Ni(4), one Ni(5), and two equivalent Ni(1) atoms. In the fifth S site, S(5) is bonded in a 6-coordinate geometry to one Li(1), one Ni(4), two equivalent Ni(1), and two equivalent Ni(3) atoms. is represented by the CIF file [CIF]
data_LiNi9S10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.998
_cell_length_b   8.602
_cell_length_c   11.636
_cell_angle_alpha   64.179
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   540.447
_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  0.000  0.500  0.500  1.0
  Li  Li1  1  0.500  0.500  0.000  1.0
  Ni  Ni2  1  0.495  0.594  0.597  1.0
  Ni  Ni3  1  0.000  0.000  0.500  1.0
  Ni  Ni4  1  0.007  0.701  0.694  1.0
  Ni  Ni5  1  0.501  0.793  0.799  1.0
  Ni  Ni6  1  0.502  0.091  0.598  1.0
  Ni  Ni7  1  0.002  0.909  0.902  1.0
  Ni  Ni8  1  0.001  0.207  0.701  1.0
  Ni  Ni9  1  0.507  0.299  0.806  1.0
  Ni  Ni10  1  0.500  0.000  0.000  1.0
  Ni  Ni11  1  0.998  0.091  0.098  1.0
  Ni  Ni12  1  0.995  0.406  0.903  1.0
  Ni  Ni13  1  0.499  0.207  0.201  1.0
  Ni  Ni14  1  0.993  0.299  0.306  1.0
  Ni  Ni15  1  0.005  0.594  0.097  1.0
  Ni  Ni16  1  0.493  0.701  0.194  1.0
  Ni  Ni17  1  0.505  0.406  0.403  1.0
  Ni  Ni18  1  0.999  0.793  0.299  1.0
  Ni  Ni19  1  0.498  0.909  0.402  1.0
  S  S20  1  0.164  0.767  0.489  1.0
  S  S21  1  0.664  0.835  0.605  1.0
  S  S22  1  0.176  0.954  0.694  1.0
  S  S23  1  0.347  0.337  0.607  1.0
  S  S24  1  0.676  0.046  0.806  1.0
  S  S25  1  0.829  0.443  0.711  1.0
  S  S26  1  0.164  0.165  0.895  1.0
  S  S27  1  0.329  0.557  0.789  1.0
  S  S28  1  0.664  0.233  0.011  1.0
  S  S29  1  0.153  0.337  0.107  1.0
  S  S30  1  0.847  0.663  0.893  1.0
  S  S31  1  0.671  0.443  0.211  1.0
  S  S32  1  0.336  0.767  0.989  1.0
  S  S33  1  0.171  0.557  0.289  1.0
  S  S34  1  0.836  0.835  0.105  1.0
  S  S35  1  0.653  0.663  0.393  1.0
  S  S36  1  0.324  0.954  0.194  1.0
  S  S37  1  0.824  0.046  0.306  1.0
  S  S38  1  0.336  0.165  0.395  1.0
  S  S39  1  0.836  0.233  0.511  1.0
[/CIF]
.