Ba2InSbTe5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one Te(5), two equivalent Te(1), two equivalent Te(3), and three equivalent Te(4) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one Te(5), two equivalent Te(1), two equivalent Te(3), and three equivalent Te(2) atoms. In(1) is bonded to one Te(1), one Te(2), and two equivalent Te(5) atoms to form InTe4 tetrahedra that share corners with two equivalent Sb(1)Te5 square pyramids and corners with two equivalent In(1)Te4 tetrahedra. Sb(1) is bonded to one Te(3), two equivalent Te(2), and two equivalent Te(4) atoms to form distorted SbTe5 square pyramids that share corners with two equivalent In(1)Te4 tetrahedra and edges with two equivalent Sb(1)Te5 square pyramids. There are five inequivalent Te sites. In the first Te site, Te(5) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), and two equivalent In(1) atoms. In the second Te site, Te(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), and one In(1) atom to form TeBa4In square pyramids that share corners with four equivalent Te(2)Ba3InSb2 octahedra, corners with four equivalent Te(3)Ba4Sb square pyramids, corners with four equivalent Te(4)Ba3Sb2 trigonal bipyramids, edges with two equivalent Te(1)Ba4In square pyramids, edges with two equivalent Te(3)Ba4Sb square pyramids,  an edgeedge with one Te(4)Ba3Sb2 trigonal bipyramid, and  a faceface with one Te(2)Ba3InSb2 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. In the third Te site, Te(2) is bonded to three equivalent Ba(2), one In(1), and two equivalent Sb(1) atoms to form distorted TeBa3InSb2 octahedra that share corners with two equivalent Te(3)Ba4Sb square pyramids, corners with four equivalent Te(1)Ba4In square pyramids, corners with two equivalent Te(4)Ba3Sb2 trigonal bipyramids, edges with four equivalent Te(2)Ba3InSb2 octahedra, edges with three equivalent Te(3)Ba4Sb square pyramids,  an edgeedge with one Te(4)Ba3Sb2 trigonal bipyramid, and  a faceface with one Te(1)Ba4In square pyramid. In the fourth Te site, Te(3) is bonded to two equivalent Ba(1), two equivalent Ba(2), and one Sb(1) atom to form TeBa4Sb square pyramids that share corners with two equivalent Te(2)Ba3InSb2 octahedra, corners with four equivalent Te(1)Ba4In square pyramids, corners with two equivalent Te(4)Ba3Sb2 trigonal bipyramids, edges with three equivalent Te(2)Ba3InSb2 octahedra, edges with two equivalent Te(1)Ba4In square pyramids, edges with two equivalent Te(3)Ba4Sb square pyramids, and edges with three equivalent Te(4)Ba3Sb2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 31°. In the fifth Te site, Te(4) is bonded to three equivalent Ba(1) and two equivalent Sb(1) atoms to form distorted TeBa3Sb2 trigonal bipyramids that share corners with two equivalent Te(2)Ba3InSb2 octahedra, corners with two equivalent Te(3)Ba4Sb square pyramids, corners with four equivalent Te(1)Ba4In square pyramids,  an edgeedge with one Te(2)Ba3InSb2 octahedra,  an edgeedge with one Te(1)Ba4In square pyramid, edges with three equivalent Te(3)Ba4Sb square pyramids, and edges with four equivalent Te(4)Ba3Sb2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 8°.
Ba2InSbTe5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one Te(5), two equivalent Te(1), two equivalent Te(3), and three equivalent Te(4) atoms. The Ba(1)-Te(5) bond length is 3.93 Å. Both Ba(1)-Te(1) bond lengths are 3.50 Å. Both Ba(1)-Te(3) bond lengths are 3.59 Å. There is one shorter (3.55 Å) and two longer (3.68 Å) Ba(1)-Te(4) bond lengths. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one Te(5), two equivalent Te(1), two equivalent Te(3), and three equivalent Te(2) atoms. The Ba(2)-Te(5) bond length is 3.97 Å. Both Ba(2)-Te(1) bond lengths are 3.54 Å. Both Ba(2)-Te(3) bond lengths are 3.53 Å. There is one shorter (3.68 Å) and two longer (3.75 Å) Ba(2)-Te(2) bond lengths. In(1) is bonded to one Te(1), one Te(2), and two equivalent Te(5) atoms to form InTe4 tetrahedra that share corners with two equivalent Sb(1)Te5 square pyramids and corners with two equivalent In(1)Te4 tetrahedra. The In(1)-Te(1) bond length is 2.81 Å. The In(1)-Te(2) bond length is 2.89 Å. Both In(1)-Te(5) bond lengths are 2.86 Å. Sb(1) is bonded to one Te(3), two equivalent Te(2), and two equivalent Te(4) atoms to form distorted SbTe5 square pyramids that share corners with two equivalent In(1)Te4 tetrahedra and edges with two equivalent Sb(1)Te5 square pyramids. The Sb(1)-Te(3) bond length is 2.88 Å. Both Sb(1)-Te(2) bond lengths are 3.29 Å. Both Sb(1)-Te(4) bond lengths are 3.05 Å. There are five inequivalent Te sites. In the first Te site, Te(5) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), and two equivalent In(1) atoms. In the second Te site, Te(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), and one In(1) atom to form TeBa4In square pyramids that share corners with four equivalent Te(2)Ba3InSb2 octahedra, corners with four equivalent Te(3)Ba4Sb square pyramids, corners with four equivalent Te(4)Ba3Sb2 trigonal bipyramids, edges with two equivalent Te(1)Ba4In square pyramids, edges with two equivalent Te(3)Ba4Sb square pyramids,  an edgeedge with one Te(4)Ba3Sb2 trigonal bipyramid, and  a faceface with one Te(2)Ba3InSb2 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. In the third Te site, Te(2) is bonded to three equivalent Ba(2), one In(1), and two equivalent Sb(1) atoms to form distorted TeBa3InSb2 octahedra that share corners with two equivalent Te(3)Ba4Sb square pyramids, corners with four equivalent Te(1)Ba4In square pyramids, corners with two equivalent Te(4)Ba3Sb2 trigonal bipyramids, edges with four equivalent Te(2)Ba3InSb2 octahedra, edges with three equivalent Te(3)Ba4Sb square pyramids,  an edgeedge with one Te(4)Ba3Sb2 trigonal bipyramid, and  a faceface with one Te(1)Ba4In square pyramid. In the fourth Te site, Te(3) is bonded to two equivalent Ba(1), two equivalent Ba(2), and one Sb(1) atom to form TeBa4Sb square pyramids that share corners with two equivalent Te(2)Ba3InSb2 octahedra, corners with four equivalent Te(1)Ba4In square pyramids, corners with two equivalent Te(4)Ba3Sb2 trigonal bipyramids, edges with three equivalent Te(2)Ba3InSb2 octahedra, edges with two equivalent Te(1)Ba4In square pyramids, edges with two equivalent Te(3)Ba4Sb square pyramids, and edges with three equivalent Te(4)Ba3Sb2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 31°. In the fifth Te site, Te(4) is bonded to three equivalent Ba(1) and two equivalent Sb(1) atoms to form distorted TeBa3Sb2 trigonal bipyramids that share corners with two equivalent Te(2)Ba3InSb2 octahedra, corners with two equivalent Te(3)Ba4Sb square pyramids, corners with four equivalent Te(1)Ba4In square pyramids,  an edgeedge with one Te(2)Ba3InSb2 octahedra,  an edgeedge with one Te(1)Ba4In square pyramid, edges with three equivalent Te(3)Ba4Sb square pyramids, and edges with four equivalent Te(4)Ba3Sb2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 8°.