BaTeS3 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 9-coordinate geometry to three equivalent S(2) and six equivalent S(1) atoms. Te(1) is bonded in a distorted trigonal non-coplanar geometry to one S(2) and two equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Ba(1) and one Te(1) atom to form a mixture of distorted corner and edge-sharing SBa3Te trigonal pyramids. In the second S site, S(2) is bonded to three equivalent Ba(1) and one Te(1) atom to form a mixture of distorted corner and edge-sharing SBa3Te trigonal pyramids.
BaTeS3 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 9-coordinate geometry to three equivalent S(2) and six equivalent S(1) atoms. There is one shorter (3.31 Å) and two longer (3.64 Å) Ba(1)-S(2) bond lengths. There are a spread of Ba(1)-S(1) bond distances ranging from 3.33-3.43 Å. Te(1) is bonded in a distorted trigonal non-coplanar geometry to one S(2) and two equivalent S(1) atoms. The Te(1)-S(2) bond length is 2.37 Å. Both Te(1)-S(1) bond lengths are 2.37 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Ba(1) and one Te(1) atom to form a mixture of distorted corner and edge-sharing SBa3Te trigonal pyramids. In the second S site, S(2) is bonded to three equivalent Ba(1) and one Te(1) atom to form a mixture of distorted corner and edge-sharing SBa3Te trigonal pyramids.