PtCuAsS2 is Hausmannite-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. Pt(1) is bonded to three equivalent As(1), one S(2), and two equivalent S(1) atoms to form PtAs3S3 octahedra that share corners with four equivalent Pt(1)As3S3 octahedra,  a cornercorner with one As(1)Pt3S tetrahedra, corners with three equivalent S(2)Cu2AsPt tetrahedra, corners with six equivalent Cu(1)S4 tetrahedra, and edges with two equivalent Pt(1)As3S3 octahedra. The corner-sharing octahedral tilt angles are 63°. Cu(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form CuS4 tetrahedra that share corners with six equivalent Pt(1)As3S3 octahedra, corners with two equivalent As(1)Pt3S tetrahedra, and corners with four equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 61-67°. As(1) is bonded to three equivalent Pt(1) and one S(2) atom to form AsPt3S tetrahedra that share  a cornercorner with one Pt(1)As3S3 octahedra, corners with two equivalent Cu(1)S4 tetrahedra, corners with three equivalent S(2)Cu2AsPt tetrahedra, corners with four equivalent S(1)Cu2Pt2 tetrahedra, corners with six equivalent As(1)Pt3S tetrahedra, and  an edgeedge with one S(1)Cu2Pt2 tetrahedra. The corner-sharing octahedral tilt angles are 77°. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Pt(1) and two equivalent Cu(1) atoms to form distorted SCu2Pt2 tetrahedra that share corners with four equivalent As(1)Pt3S tetrahedra, corners with four equivalent S(1)Cu2Pt2 tetrahedra, corners with six equivalent S(2)Cu2AsPt tetrahedra, and  an edgeedge with one As(1)Pt3S tetrahedra. In the second S site, S(2) is bonded to one Pt(1), two equivalent Cu(1), and one As(1) atom to form distorted SCu2AsPt tetrahedra that share corners with three equivalent Pt(1)As3S3 octahedra, corners with two equivalent S(2)Cu2AsPt tetrahedra, corners with three equivalent As(1)Pt3S tetrahedra, and corners with six equivalent S(1)Cu2Pt2 tetrahedra. The corner-sharing octahedral tilt angles range from 72-75°.
PtCuAsS2 is Hausmannite-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. Pt(1) is bonded to three equivalent As(1), one S(2), and two equivalent S(1) atoms to form PtAs3S3 octahedra that share corners with four equivalent Pt(1)As3S3 octahedra,  a cornercorner with one As(1)Pt3S tetrahedra, corners with three equivalent S(2)Cu2AsPt tetrahedra, corners with six equivalent Cu(1)S4 tetrahedra, and edges with two equivalent Pt(1)As3S3 octahedra. The corner-sharing octahedral tilt angles are 63°. All Pt(1)-As(1) bond lengths are 2.48 Å. The Pt(1)-S(2) bond length is 2.43 Å. Both Pt(1)-S(1) bond lengths are 2.50 Å. Cu(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form CuS4 tetrahedra that share corners with six equivalent Pt(1)As3S3 octahedra, corners with two equivalent As(1)Pt3S tetrahedra, and corners with four equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 61-67°. There is one shorter (2.26 Å) and one longer (2.27 Å) Cu(1)-S(1) bond length. Both Cu(1)-S(2) bond lengths are 2.31 Å. As(1) is bonded to three equivalent Pt(1) and one S(2) atom to form AsPt3S tetrahedra that share  a cornercorner with one Pt(1)As3S3 octahedra, corners with two equivalent Cu(1)S4 tetrahedra, corners with three equivalent S(2)Cu2AsPt tetrahedra, corners with four equivalent S(1)Cu2Pt2 tetrahedra, corners with six equivalent As(1)Pt3S tetrahedra, and  an edgeedge with one S(1)Cu2Pt2 tetrahedra. The corner-sharing octahedral tilt angles are 77°. The As(1)-S(2) bond length is 2.30 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Pt(1) and two equivalent Cu(1) atoms to form distorted SCu2Pt2 tetrahedra that share corners with four equivalent As(1)Pt3S tetrahedra, corners with four equivalent S(1)Cu2Pt2 tetrahedra, corners with six equivalent S(2)Cu2AsPt tetrahedra, and  an edgeedge with one As(1)Pt3S tetrahedra. In the second S site, S(2) is bonded to one Pt(1), two equivalent Cu(1), and one As(1) atom to form distorted SCu2AsPt tetrahedra that share corners with three equivalent Pt(1)As3S3 octahedra, corners with two equivalent S(2)Cu2AsPt tetrahedra, corners with three equivalent As(1)Pt3S tetrahedra, and corners with six equivalent S(1)Cu2Pt2 tetrahedra. The corner-sharing octahedral tilt angles range from 72-75°.