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.
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. Both Li(1)-Ni(4) bond lengths are 2.59 Å. Both Li(1)-S(1) bond lengths are 2.45 Å. Both Li(1)-S(4) bond lengths are 2.51 Å. Both Li(1)-S(5) bond lengths are 2.50 Å. 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°. The Ni(1)-S(1) bond length is 2.47 Å. The Ni(1)-S(2) bond length is 2.35 Å. There is one shorter (2.34 Å) and one longer (2.38 Å) Ni(1)-S(4) bond length. There is one shorter (2.34 Å) and one longer (2.44 Å) Ni(1)-S(5) bond length. 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°. Both Ni(2)-S(1) bond lengths are 2.28 Å. Both Ni(2)-S(2) bond lengths are 2.46 Å. Both Ni(2)-S(3) bond lengths are 2.36 Å. 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°. The Ni(3)-S(1) bond length is 2.39 Å. The Ni(3)-S(2) bond length is 2.37 Å. The Ni(3)-S(3) bond length is 2.40 Å. The Ni(3)-S(4) bond length is 2.40 Å. There is one shorter (2.30 Å) and one longer (2.39 Å) Ni(3)-S(5) bond length. 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. The Ni(4)-S(1) bond length is 2.34 Å. The Ni(4)-S(2) bond length is 2.34 Å. The Ni(4)-S(4) bond length is 2.38 Å. The Ni(4)-S(5) bond length is 2.32 Å. There is one shorter (2.40 Å) and one longer (2.44 Å) Ni(4)-S(3) bond length. 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°. The Ni(5)-S(1) bond length is 2.34 Å. The Ni(5)-S(4) bond length is 2.35 Å. There is one shorter (2.37 Å) and one longer (2.39 Å) Ni(5)-S(2) bond length. There is one shorter (2.30 Å) and one longer (2.50 Å) Ni(5)-S(3) bond length. 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.