Materials Data on Na3SbTe3 by Materials Project
Na3SbTe3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six equivalent Te2- atoms to form a mixture of edge, face, and corner-sharing NaTe6 octahedra. The corner-sharing octahedra tilt angles range from 38–56°. There are three shorter (3.29 Å) and three longer (3.50 Å) Na–Te bond lengths. In the second Na1+ site, Na1+ is bonded to six equivalent Te2- atoms to form a mixture of distorted edge, face, and corner-sharing NaTe6 octahedra. The corner-sharing octahedra tilt angles range from 20–47°. There are three shorter (3.24 Å) and three longer (3.45 Å) Na–Te bond lengths. In the third Na1+ site, Na1+ is bonded to six equivalent Te2- atoms to form a mixture of distorted edge, face, and corner-sharing NaTe6 octahedra. The corner-sharing octahedra tilt angles range from 20–48°. There are three shorter (3.25 Å) and three longer (3.40 Å) Na–Te bond lengths. Sb3+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent Te2- atoms. All Sb–Te bond lengths are 2.84 Å. Te2- is bonded to six Na1+ and one Sb3+ atom to form a mixture of distorted edge, face, and corner-sharing TeNa6Sb pentagonal bipyramids.