U5P4S is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. There are three inequivalent U sites. In the first U site, U(1) is bonded to three equivalent P(1) and three equivalent P(2) atoms to form UP6 octahedra that share corners with three equivalent U(3)P3S3 octahedra, corners with three equivalent U(2)P6 octahedra, edges with three equivalent U(3)P3S3 octahedra, edges with three equivalent U(2)P6 octahedra, and edges with six equivalent U(1)P6 octahedra. The corner-sharing octahedra are not tilted. In the second U site, U(2) is bonded to six equivalent P(2) atoms to form a mixture of edge and corner-sharing UP6 octahedra. The corner-sharing octahedra are not tilted. In the third U site, U(3) is bonded to three equivalent P(1) and three equivalent S(1) atoms to form UP3S3 octahedra that share corners with three equivalent U(3)P3S3 octahedra, corners with three equivalent U(1)P6 octahedra, edges with three equivalent U(1)P6 octahedra, and edges with nine equivalent U(3)P3S3 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent P sites. In the first P site, P(1) is bonded to three equivalent U(1) and three equivalent U(3) atoms to form PU6 octahedra that share corners with three equivalent P(2)U6 octahedra, corners with three equivalent S(1)U6 octahedra, edges with three equivalent P(2)U6 octahedra, edges with three equivalent S(1)U6 octahedra, and edges with six equivalent P(1)U6 octahedra. The corner-sharing octahedra are not tilted. In the second P site, P(2) is bonded to three equivalent U(1) and three equivalent U(2) atoms to form a mixture of edge and corner-sharing PU6 octahedra. The corner-sharing octahedra are not tilted. S(1) is bonded to six equivalent U(3) atoms to form SU6 octahedra that share corners with six equivalent P(1)U6 octahedra, edges with six equivalent P(1)U6 octahedra, and edges with six equivalent S(1)U6 octahedra. The corner-sharing octahedra are not tilted.
U5P4S is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. There are three inequivalent U sites. In the first U site, U(1) is bonded to three equivalent P(1) and three equivalent P(2) atoms to form UP6 octahedra that share corners with three equivalent U(3)P3S3 octahedra, corners with three equivalent U(2)P6 octahedra, edges with three equivalent U(3)P3S3 octahedra, edges with three equivalent U(2)P6 octahedra, and edges with six equivalent U(1)P6 octahedra. The corner-sharing octahedra are not tilted. All U(1)-P(1) bond lengths are 2.77 Å. All U(1)-P(2) bond lengths are 2.77 Å. In the second U site, U(2) is bonded to six equivalent P(2) atoms to form a mixture of edge and corner-sharing UP6 octahedra. The corner-sharing octahedra are not tilted. All U(2)-P(2) bond lengths are 2.77 Å. In the third U site, U(3) is bonded to three equivalent P(1) and three equivalent S(1) atoms to form UP3S3 octahedra that share corners with three equivalent U(3)P3S3 octahedra, corners with three equivalent U(1)P6 octahedra, edges with three equivalent U(1)P6 octahedra, and edges with nine equivalent U(3)P3S3 octahedra. The corner-sharing octahedra are not tilted. All U(3)-P(1) bond lengths are 2.76 Å. All U(3)-S(1) bond lengths are 2.76 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to three equivalent U(1) and three equivalent U(3) atoms to form PU6 octahedra that share corners with three equivalent P(2)U6 octahedra, corners with three equivalent S(1)U6 octahedra, edges with three equivalent P(2)U6 octahedra, edges with three equivalent S(1)U6 octahedra, and edges with six equivalent P(1)U6 octahedra. The corner-sharing octahedra are not tilted. In the second P site, P(2) is bonded to three equivalent U(1) and three equivalent U(2) atoms to form a mixture of edge and corner-sharing PU6 octahedra. The corner-sharing octahedra are not tilted. S(1) is bonded to six equivalent U(3) atoms to form SU6 octahedra that share corners with six equivalent P(1)U6 octahedra, edges with six equivalent P(1)U6 octahedra, and edges with six equivalent S(1)U6 octahedra. The corner-sharing octahedra are not tilted.