PdAsS crystallizes in the cubic P2_13 space group. Pd(1) is bonded to three equivalent As(1) and three equivalent S(1) atoms to form PdAs3S3 octahedra that share corners with twelve equivalent Pd(1)As3S3 octahedra, corners with three equivalent As(1)Pd3S tetrahedra, and corners with three equivalent S(1)AsPd3 tetrahedra. The corner-sharing octahedral tilt angles range from 65-66°. As(1) is bonded to three equivalent Pd(1) and one S(1) atom to form distorted AsPd3S tetrahedra that share corners with three equivalent Pd(1)As3S3 octahedra, corners with six equivalent As(1)Pd3S tetrahedra, and corners with nine equivalent S(1)AsPd3 tetrahedra. The corner-sharing octahedral tilt angles are 76°. S(1) is bonded to three equivalent Pd(1) and one As(1) atom to form SAsPd3 tetrahedra that share corners with three equivalent Pd(1)As3S3 octahedra, corners with six equivalent S(1)AsPd3 tetrahedra, and corners with nine equivalent As(1)Pd3S tetrahedra. The corner-sharing octahedral tilt angles are 77°.
PdAsS crystallizes in the cubic P2_13 space group. Pd(1) is bonded to three equivalent As(1) and three equivalent S(1) atoms to form PdAs3S3 octahedra that share corners with twelve equivalent Pd(1)As3S3 octahedra, corners with three equivalent As(1)Pd3S tetrahedra, and corners with three equivalent S(1)AsPd3 tetrahedra. The corner-sharing octahedral tilt angles range from 65-66°. All Pd(1)-As(1) bond lengths are 2.51 Å. All Pd(1)-S(1) bond lengths are 2.53 Å. As(1) is bonded to three equivalent Pd(1) and one S(1) atom to form distorted AsPd3S tetrahedra that share corners with three equivalent Pd(1)As3S3 octahedra, corners with six equivalent As(1)Pd3S tetrahedra, and corners with nine equivalent S(1)AsPd3 tetrahedra. The corner-sharing octahedral tilt angles are 76°. The As(1)-S(1) bond length is 2.26 Å. S(1) is bonded to three equivalent Pd(1) and one As(1) atom to form SAsPd3 tetrahedra that share corners with three equivalent Pd(1)As3S3 octahedra, corners with six equivalent S(1)AsPd3 tetrahedra, and corners with nine equivalent As(1)Pd3S tetrahedra. The corner-sharing octahedral tilt angles are 77°.