Ni9S10 crystallizes in the triclinic P-1 space group. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one S(1), one S(2), one S(4), one S(5), and two equivalent S(3) atoms to form a mixture of distorted edge, face, and corner-sharing NiS6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the second Ni site, Ni(2) is bonded to one S(3), one S(4), two equivalent S(1), and two equivalent S(5) atoms to form a mixture of distorted edge, face, and corner-sharing NiS6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the third Ni site, Ni(3) is bonded to one S(1), one S(3), one S(4), one S(5), and two equivalent S(2) atoms to form a mixture of edge, face, and corner-sharing NiS6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the fourth Ni site, Ni(4) 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 47-51°. In the fifth Ni site, Ni(5) 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 47-52°. There are five inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one Ni(1), one Ni(3), one Ni(4), one Ni(5), and two equivalent Ni(2) atoms. In the second S site, S(2) is bonded to one Ni(1), one Ni(4), one Ni(5), and two equivalent Ni(3) atoms to form a mixture of distorted edge and corner-sharing SNi5 square pyramids. In the third S site, S(3) is bonded to one Ni(2), one Ni(3), one Ni(4), and two equivalent Ni(1) atoms to form a mixture of distorted edge and corner-sharing SNi5 trigonal bipyramids. In the fourth S site, S(4) is bonded to one Ni(1), one Ni(2), one Ni(3), and two equivalent Ni(5) atoms to form a mixture of distorted edge and corner-sharing SNi5 square pyramids. In the fifth S site, S(5) is bonded in a 6-coordinate geometry to one Ni(1), one Ni(3), two equivalent Ni(2), and two equivalent Ni(5) atoms.
Ni9S10 crystallizes in the triclinic P-1 space group. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one S(1), one S(2), one S(4), one S(5), and two equivalent S(3) atoms to form a mixture of distorted edge, face, and corner-sharing NiS6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. The Ni(1)-S(1) bond length is 2.50 Å. The Ni(1)-S(2) bond length is 2.28 Å. The Ni(1)-S(4) bond length is 2.27 Å. The Ni(1)-S(5) bond length is 2.39 Å. There is one shorter (2.28 Å) and one longer (2.36 Å) Ni(1)-S(3) bond length. In the second Ni site, Ni(2) is bonded to one S(3), one S(4), two equivalent S(1), and two equivalent S(5) atoms to form a mixture of distorted edge, face, and corner-sharing NiS6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. The Ni(2)-S(3) bond length is 2.31 Å. The Ni(2)-S(4) bond length is 2.33 Å. There is one shorter (2.29 Å) and one longer (2.49 Å) Ni(2)-S(1) bond length. There is one shorter (2.35 Å) and one longer (2.37 Å) Ni(2)-S(5) bond length. In the third Ni site, Ni(3) is bonded to one S(1), one S(3), one S(4), one S(5), and two equivalent S(2) atoms to form a mixture of edge, face, and corner-sharing NiS6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. The Ni(3)-S(1) bond length is 2.44 Å. The Ni(3)-S(3) bond length is 2.34 Å. The Ni(3)-S(4) bond length is 2.36 Å. The Ni(3)-S(5) bond length is 2.47 Å. There is one shorter (2.26 Å) and one longer (2.34 Å) Ni(3)-S(2) bond length. In the fourth Ni site, Ni(4) 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 47-51°. Both Ni(4)-S(1) bond lengths are 2.37 Å. Both Ni(4)-S(2) bond lengths are 2.31 Å. Both Ni(4)-S(3) bond lengths are 2.32 Å. In the fifth Ni site, Ni(5) 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 47-52°. The Ni(5)-S(1) bond length is 2.31 Å. The Ni(5)-S(2) bond length is 2.31 Å. There is one shorter (2.31 Å) and one longer (2.34 Å) Ni(5)-S(4) bond length. There is one shorter (2.39 Å) and one longer (2.44 Å) Ni(5)-S(5) bond length. There are five inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one Ni(1), one Ni(3), one Ni(4), one Ni(5), and two equivalent Ni(2) atoms. In the second S site, S(2) is bonded to one Ni(1), one Ni(4), one Ni(5), and two equivalent Ni(3) atoms to form a mixture of distorted edge and corner-sharing SNi5 square pyramids. In the third S site, S(3) is bonded to one Ni(2), one Ni(3), one Ni(4), and two equivalent Ni(1) atoms to form a mixture of distorted edge and corner-sharing SNi5 trigonal bipyramids. In the fourth S site, S(4) is bonded to one Ni(1), one Ni(2), one Ni(3), and two equivalent Ni(5) atoms to form a mixture of distorted edge and corner-sharing SNi5 square pyramids. In the fifth S site, S(5) is bonded in a 6-coordinate geometry to one Ni(1), one Ni(3), two equivalent Ni(2), and two equivalent Ni(5) atoms.