CoNi(AsS)2 is Spinel-derived structured and crystallizes in the monoclinic P2_1 space group. Co(1) is bonded to one As(1), two equivalent As(2), one S(1), and two equivalent S(2) atoms to form CoAs3S3 octahedra that share corners with four equivalent Co(1)As3S3 octahedra, corners with eight equivalent Ni(1)As3S3 octahedra,  a cornercorner with one As(1)CoNi2S tetrahedra,  a cornercorner with one S(1)CoNi2As tetrahedra, corners with two equivalent As(2)Co2NiS tetrahedra, and corners with two equivalent S(2)Co2NiAs tetrahedra. The corner-sharing octahedral tilt angles range from 62-65°. Ni(1) is bonded to one As(2), two equivalent As(1), one S(2), and two equivalent S(1) atoms to form NiAs3S3 octahedra that share corners with four equivalent Ni(1)As3S3 octahedra, corners with eight equivalent Co(1)As3S3 octahedra,  a cornercorner with one As(2)Co2NiS tetrahedra,  a cornercorner with one S(2)Co2NiAs tetrahedra, corners with two equivalent As(1)CoNi2S tetrahedra, and corners with two equivalent S(1)CoNi2As tetrahedra. The corner-sharing octahedral tilt angles range from 63-65°. There are two inequivalent As sites. In the first As site, As(1) is bonded to one Co(1), two equivalent Ni(1), and one S(1) atom to form AsCoNi2S tetrahedra that share  a cornercorner with one Co(1)As3S3 octahedra, corners with two equivalent Ni(1)As3S3 octahedra, corners with two equivalent As(1)CoNi2S tetrahedra, corners with four equivalent As(2)Co2NiS tetrahedra, corners with four equivalent S(2)Co2NiAs tetrahedra, and corners with five equivalent S(1)CoNi2As tetrahedra. The corner-sharing octahedral tilt angles range from 77-80°. In the second As site, As(2) is bonded to two equivalent Co(1), one Ni(1), and one S(2) atom to form AsCo2NiS tetrahedra that share  a cornercorner with one Ni(1)As3S3 octahedra, corners with two equivalent Co(1)As3S3 octahedra, corners with two equivalent As(2)Co2NiS tetrahedra, corners with four equivalent As(1)CoNi2S tetrahedra, corners with four equivalent S(1)CoNi2As tetrahedra, and corners with five equivalent S(2)Co2NiAs tetrahedra. The corner-sharing octahedral tilt angles range from 78-81°. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Co(1), two equivalent Ni(1), and one As(1) atom to form SCoNi2As tetrahedra that share  a cornercorner with one Co(1)As3S3 octahedra, corners with two equivalent Ni(1)As3S3 octahedra, corners with two equivalent S(1)CoNi2As tetrahedra, corners with four equivalent As(2)Co2NiS tetrahedra, corners with four equivalent S(2)Co2NiAs tetrahedra, and corners with five equivalent As(1)CoNi2S tetrahedra. The corner-sharing octahedral tilt angles range from 77-80°. In the second S site, S(2) is bonded to two equivalent Co(1), one Ni(1), and one As(2) atom to form SCo2NiAs tetrahedra that share  a cornercorner with one Ni(1)As3S3 octahedra, corners with two equivalent Co(1)As3S3 octahedra, corners with two equivalent S(2)Co2NiAs tetrahedra, corners with four equivalent As(1)CoNi2S tetrahedra, corners with four equivalent S(1)CoNi2As tetrahedra, and corners with five equivalent As(2)Co2NiS tetrahedra. The corner-sharing octahedral tilt angles range from 78-81°.
CoNi(AsS)2 is Spinel-derived structured and crystallizes in the monoclinic P2_1 space group. Co(1) is bonded to one As(1), two equivalent As(2), one S(1), and two equivalent S(2) atoms to form CoAs3S3 octahedra that share corners with four equivalent Co(1)As3S3 octahedra, corners with eight equivalent Ni(1)As3S3 octahedra,  a cornercorner with one As(1)CoNi2S tetrahedra,  a cornercorner with one S(1)CoNi2As tetrahedra, corners with two equivalent As(2)Co2NiS tetrahedra, and corners with two equivalent S(2)Co2NiAs tetrahedra. The corner-sharing octahedral tilt angles range from 62-65°. The Co(1)-As(1) bond length is 2.34 Å. There is one shorter (2.36 Å) and one longer (2.37 Å) Co(1)-As(2) bond length. The Co(1)-S(1) bond length is 2.28 Å. Both Co(1)-S(2) bond lengths are 2.29 Å. Ni(1) is bonded to one As(2), two equivalent As(1), one S(2), and two equivalent S(1) atoms to form NiAs3S3 octahedra that share corners with four equivalent Ni(1)As3S3 octahedra, corners with eight equivalent Co(1)As3S3 octahedra,  a cornercorner with one As(2)Co2NiS tetrahedra,  a cornercorner with one S(2)Co2NiAs tetrahedra, corners with two equivalent As(1)CoNi2S tetrahedra, and corners with two equivalent S(1)CoNi2As tetrahedra. The corner-sharing octahedral tilt angles range from 63-65°. The Ni(1)-As(2) bond length is 2.42 Å. Both Ni(1)-As(1) bond lengths are 2.40 Å. The Ni(1)-S(2) bond length is 2.34 Å. There is one shorter (2.32 Å) and one longer (2.33 Å) Ni(1)-S(1) bond length. There are two inequivalent As sites. In the first As site, As(1) is bonded to one Co(1), two equivalent Ni(1), and one S(1) atom to form AsCoNi2S tetrahedra that share  a cornercorner with one Co(1)As3S3 octahedra, corners with two equivalent Ni(1)As3S3 octahedra, corners with two equivalent As(1)CoNi2S tetrahedra, corners with four equivalent As(2)Co2NiS tetrahedra, corners with four equivalent S(2)Co2NiAs tetrahedra, and corners with five equivalent S(1)CoNi2As tetrahedra. The corner-sharing octahedral tilt angles range from 77-80°. The As(1)-S(1) bond length is 2.32 Å. In the second As site, As(2) is bonded to two equivalent Co(1), one Ni(1), and one S(2) atom to form AsCo2NiS tetrahedra that share  a cornercorner with one Ni(1)As3S3 octahedra, corners with two equivalent Co(1)As3S3 octahedra, corners with two equivalent As(2)Co2NiS tetrahedra, corners with four equivalent As(1)CoNi2S tetrahedra, corners with four equivalent S(1)CoNi2As tetrahedra, and corners with five equivalent S(2)Co2NiAs tetrahedra. The corner-sharing octahedral tilt angles range from 78-81°. The As(2)-S(2) bond length is 2.33 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Co(1), two equivalent Ni(1), and one As(1) atom to form SCoNi2As tetrahedra that share  a cornercorner with one Co(1)As3S3 octahedra, corners with two equivalent Ni(1)As3S3 octahedra, corners with two equivalent S(1)CoNi2As tetrahedra, corners with four equivalent As(2)Co2NiS tetrahedra, corners with four equivalent S(2)Co2NiAs tetrahedra, and corners with five equivalent As(1)CoNi2S tetrahedra. The corner-sharing octahedral tilt angles range from 77-80°. In the second S site, S(2) is bonded to two equivalent Co(1), one Ni(1), and one As(2) atom to form SCo2NiAs tetrahedra that share  a cornercorner with one Ni(1)As3S3 octahedra, corners with two equivalent Co(1)As3S3 octahedra, corners with two equivalent S(2)Co2NiAs tetrahedra, corners with four equivalent As(1)CoNi2S tetrahedra, corners with four equivalent S(1)CoNi2As tetrahedra, and corners with five equivalent As(2)Co2NiS tetrahedra. The corner-sharing octahedral tilt angles range from 78-81°.