Materials Data on SrTe3O8 by Materials Project

Abstract

SrTe3O8 crystallizes in the tetragonal P4_2/m space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.54 Å) and four longer (2.84 Å) Sr–O bond lengths. There are two inequivalent Te+4.67+ sites. In the first Te+4.67+ site, Te+4.67+ is bonded to five O2- atoms to form distorted TeO5 square pyramids that share corners with three equivalent TeO6 octahedra and an edgeedge with one TeO5 square pyramid. The corner-sharing octahedra tilt angles range from 45–60°. There are a spread of Te–O bond distances ranging from 1.98–2.22 Å. In the second Te+4.67+ site, Te+4.67+ is bonded to six O2- atoms to form corner-sharing TeO6 octahedra. There is four shorter (1.96 Å) and two longer (1.97 Å) Te–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Sr2+ and two equivalent Te+4.67+ atoms. In the second O2- site, O2- is bonded to two equivalent Sr2+ and two Te+4.67+ atoms to form a mixture of distorted corner and edge-sharing OSr2Te2 tetrahedra. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Te+4.67+ atoms.