CoNi2S4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. Co(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CoS6 octahedra that share corners with six equivalent Ni(1)S4 tetrahedra, edges with two equivalent Co(1)S6 octahedra, and edges with four equivalent Ni(2)S6 octahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form NiS4 tetrahedra that share corners with six equivalent Co(1)S6 octahedra and corners with six equivalent Ni(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 57-59°. In the second Ni site, Ni(2) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form NiS6 octahedra that share corners with six equivalent Ni(1)S4 tetrahedra, edges with two equivalent Ni(2)S6 octahedra, and edges with four equivalent Co(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Co(1), one Ni(1), and two equivalent Ni(2) atoms to form distorted SCoNi3 trigonal pyramids that share corners with six equivalent S(2)Co2Ni2 trigonal pyramids, corners with six equivalent S(1)CoNi3 trigonal pyramids,  an edgeedge with one S(1)CoNi3 trigonal pyramid, and edges with two equivalent S(2)Co2Ni2 trigonal pyramids. In the second S site, S(2) is bonded to two equivalent Co(1), one Ni(1), and one Ni(2) atom to form distorted SCo2Ni2 trigonal pyramids that share corners with six equivalent S(2)Co2Ni2 trigonal pyramids, corners with six equivalent S(1)CoNi3 trigonal pyramids,  an edgeedge with one S(2)Co2Ni2 trigonal pyramid, and edges with two equivalent S(1)CoNi3 trigonal pyramids.
CoNi2S4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. Co(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CoS6 octahedra that share corners with six equivalent Ni(1)S4 tetrahedra, edges with two equivalent Co(1)S6 octahedra, and edges with four equivalent Ni(2)S6 octahedra. Both Co(1)-S(1) bond lengths are 2.24 Å. All Co(1)-S(2) bond lengths are 2.24 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form NiS4 tetrahedra that share corners with six equivalent Co(1)S6 octahedra and corners with six equivalent Ni(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 57-59°. Both Ni(1)-S(1) bond lengths are 2.16 Å. Both Ni(1)-S(2) bond lengths are 2.17 Å. In the second Ni site, Ni(2) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form NiS6 octahedra that share corners with six equivalent Ni(1)S4 tetrahedra, edges with two equivalent Ni(2)S6 octahedra, and edges with four equivalent Co(1)S6 octahedra. Both Ni(2)-S(2) bond lengths are 2.27 Å. All Ni(2)-S(1) bond lengths are 2.27 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Co(1), one Ni(1), and two equivalent Ni(2) atoms to form distorted SCoNi3 trigonal pyramids that share corners with six equivalent S(2)Co2Ni2 trigonal pyramids, corners with six equivalent S(1)CoNi3 trigonal pyramids,  an edgeedge with one S(1)CoNi3 trigonal pyramid, and edges with two equivalent S(2)Co2Ni2 trigonal pyramids. In the second S site, S(2) is bonded to two equivalent Co(1), one Ni(1), and one Ni(2) atom to form distorted SCo2Ni2 trigonal pyramids that share corners with six equivalent S(2)Co2Ni2 trigonal pyramids, corners with six equivalent S(1)CoNi3 trigonal pyramids,  an edgeedge with one S(2)Co2Ni2 trigonal pyramid, and edges with two equivalent S(1)CoNi3 trigonal pyramids.