BaSbTe3 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one Te(3), one Te(4), one Te(5), two equivalent Te(1), two equivalent Te(2), and two equivalent Te(6) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one Te(2), one Te(5), two equivalent Te(1), two equivalent Te(6), and three equivalent Te(4) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one Te(2), one Te(5), one Te(6), and two equivalent Te(3) atoms to form distorted corner-sharing SbTe5 square pyramids. In the second Sb site, Sb(2) is bonded in a distorted rectangular see-saw-like geometry to one Te(1), one Te(3), and two equivalent Te(5) atoms. There are six inequivalent Te sites. In the first Te site, Te(5) is bonded to one Ba(1), one Ba(2), one Sb(1), and two equivalent Sb(2) atoms to form distorted TeBa2Sb3 trigonal bipyramids that share  a cornercorner with one Te(6)Ba4Sb trigonal bipyramid, corners with two equivalent Te(5)Ba2Sb3 trigonal bipyramids, corners with two equivalent Te(1)Ba4Sb trigonal bipyramids, edges with two equivalent Te(1)Ba4Sb trigonal bipyramids, and edges with two equivalent Te(6)Ba4Sb trigonal bipyramids. In the second Te site, Te(6) is bonded to two equivalent Ba(1), two equivalent Ba(2), and one Sb(1) atom to form distorted TeBa4Sb trigonal bipyramids that share  a cornercorner with one Te(5)Ba2Sb3 trigonal bipyramid, corners with four equivalent Te(1)Ba4Sb trigonal bipyramids, edges with two equivalent Te(5)Ba2Sb3 trigonal bipyramids, edges with two equivalent Te(1)Ba4Sb trigonal bipyramids, and edges with two equivalent Te(6)Ba4Sb trigonal bipyramids. In the third Te site, Te(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), and one Sb(2) atom to form distorted TeBa4Sb trigonal bipyramids that share corners with two equivalent Te(5)Ba2Sb3 trigonal bipyramids, corners with four equivalent Te(6)Ba4Sb trigonal bipyramids, edges with two equivalent Te(5)Ba2Sb3 trigonal bipyramids, edges with two equivalent Te(1)Ba4Sb trigonal bipyramids, and edges with two equivalent Te(6)Ba4Sb trigonal bipyramids. In the fourth Te site, Te(2) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(1), one Sb(1), and one Te(4) atom. In the fifth Te site, Te(3) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Sb(2), and two equivalent Sb(1) atoms. In the sixth Te site, Te(4) is bonded in a 7-coordinate geometry to one Ba(1), three equivalent Ba(2), one Te(2), and two equivalent Te(4) atoms.
BaSbTe3 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one Te(3), one Te(4), one Te(5), two equivalent Te(1), two equivalent Te(2), and two equivalent Te(6) atoms. The Ba(1)-Te(3) bond length is 4.02 Å. The Ba(1)-Te(4) bond length is 3.94 Å. The Ba(1)-Te(5) bond length is 3.83 Å. There is one shorter (3.45 Å) and one longer (3.54 Å) Ba(1)-Te(1) bond length. There is one shorter (3.65 Å) and one longer (4.01 Å) Ba(1)-Te(2) bond length. There is one shorter (3.49 Å) and one longer (3.51 Å) Ba(1)-Te(6) bond length. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one Te(2), one Te(5), two equivalent Te(1), two equivalent Te(6), and three equivalent Te(4) atoms. The Ba(2)-Te(2) bond length is 3.67 Å. The Ba(2)-Te(5) bond length is 3.64 Å. There is one shorter (3.45 Å) and one longer (3.55 Å) Ba(2)-Te(1) bond length. There is one shorter (3.49 Å) and one longer (3.50 Å) Ba(2)-Te(6) bond length. There are a spread of Ba(2)-Te(4) bond distances ranging from 3.58-3.75 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one Te(2), one Te(5), one Te(6), and two equivalent Te(3) atoms to form distorted corner-sharing SbTe5 square pyramids. The Sb(1)-Te(2) bond length is 2.97 Å. The Sb(1)-Te(5) bond length is 3.39 Å. The Sb(1)-Te(6) bond length is 2.87 Å. There is one shorter (2.87 Å) and one longer (3.37 Å) Sb(1)-Te(3) bond length. In the second Sb site, Sb(2) is bonded in a distorted rectangular see-saw-like geometry to one Te(1), one Te(3), and two equivalent Te(5) atoms. The Sb(2)-Te(1) bond length is 2.86 Å. The Sb(2)-Te(3) bond length is 3.08 Å. There is one shorter (2.85 Å) and one longer (3.23 Å) Sb(2)-Te(5) bond length. There are six inequivalent Te sites. In the first Te site, Te(5) is bonded to one Ba(1), one Ba(2), one Sb(1), and two equivalent Sb(2) atoms to form distorted TeBa2Sb3 trigonal bipyramids that share  a cornercorner with one Te(6)Ba4Sb trigonal bipyramid, corners with two equivalent Te(5)Ba2Sb3 trigonal bipyramids, corners with two equivalent Te(1)Ba4Sb trigonal bipyramids, edges with two equivalent Te(1)Ba4Sb trigonal bipyramids, and edges with two equivalent Te(6)Ba4Sb trigonal bipyramids. In the second Te site, Te(6) is bonded to two equivalent Ba(1), two equivalent Ba(2), and one Sb(1) atom to form distorted TeBa4Sb trigonal bipyramids that share  a cornercorner with one Te(5)Ba2Sb3 trigonal bipyramid, corners with four equivalent Te(1)Ba4Sb trigonal bipyramids, edges with two equivalent Te(5)Ba2Sb3 trigonal bipyramids, edges with two equivalent Te(1)Ba4Sb trigonal bipyramids, and edges with two equivalent Te(6)Ba4Sb trigonal bipyramids. In the third Te site, Te(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), and one Sb(2) atom to form distorted TeBa4Sb trigonal bipyramids that share corners with two equivalent Te(5)Ba2Sb3 trigonal bipyramids, corners with four equivalent Te(6)Ba4Sb trigonal bipyramids, edges with two equivalent Te(5)Ba2Sb3 trigonal bipyramids, edges with two equivalent Te(1)Ba4Sb trigonal bipyramids, and edges with two equivalent Te(6)Ba4Sb trigonal bipyramids. In the fourth Te site, Te(2) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(1), one Sb(1), and one Te(4) atom. The Te(2)-Te(4) bond length is 3.02 Å. In the fifth Te site, Te(3) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Sb(2), and two equivalent Sb(1) atoms. In the sixth Te site, Te(4) is bonded in a 7-coordinate geometry to one Ba(1), three equivalent Ba(2), one Te(2), and two equivalent Te(4) atoms. Both Te(4)-Te(4) bond lengths are 3.27 Å.