Materials Data on KGa(Te3O7)2 by Materials Project

Abstract

KGa(Te3O7)2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are six shorter (2.81 Å) and two longer (2.83 Å) K–O bond lengths. Ga3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Ga–O bond lengths are 2.01 Å. Te4+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–2.20 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one K1+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ga3+ and one Te4+ atom. In the third O2- site, O2- is bonded to one K1+ and three equivalent Te4+ atoms to form distorted corner-sharing OKTe3 trigonal pyramids.