ZnSnS3 is Calcite structured and crystallizes in the trigonal R3c space group. Zn(1) is bonded to six equivalent S(1) atoms to form distorted ZnS6 octahedra that share corners with three equivalent Sn(1)S6 octahedra, corners with six equivalent Zn(1)S6 octahedra, edges with three equivalent Sn(1)S6 octahedra, and  a faceface with one Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-63°. Sn(1) is bonded to six equivalent S(1) atoms to form distorted SnS6 octahedra that share corners with three equivalent Zn(1)S6 octahedra, corners with six equivalent Sn(1)S6 octahedra, edges with three equivalent Zn(1)S6 octahedra, and  a faceface with one Zn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-63°. S(1) is bonded to two equivalent Zn(1) and two equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing SZn2Sn2 trigonal pyramids.
ZnSnS3 is Calcite structured and crystallizes in the trigonal R3c space group. Zn(1) is bonded to six equivalent S(1) atoms to form distorted ZnS6 octahedra that share corners with three equivalent Sn(1)S6 octahedra, corners with six equivalent Zn(1)S6 octahedra, edges with three equivalent Sn(1)S6 octahedra, and  a faceface with one Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-63°. There are three shorter (2.44 Å) and three longer (2.66 Å) Zn(1)-S(1) bond lengths. Sn(1) is bonded to six equivalent S(1) atoms to form distorted SnS6 octahedra that share corners with three equivalent Zn(1)S6 octahedra, corners with six equivalent Sn(1)S6 octahedra, edges with three equivalent Zn(1)S6 octahedra, and  a faceface with one Zn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-63°. There are three shorter (2.54 Å) and three longer (2.68 Å) Sn(1)-S(1) bond lengths. S(1) is bonded to two equivalent Zn(1) and two equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing SZn2Sn2 trigonal pyramids.