Materials Data on KNaTe by Materials Project

Abstract

KNaTe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded to five equivalent Te2- atoms to form distorted KTe5 trigonal bipyramids that share corners with eight equivalent NaTe4 tetrahedra, corners with eight equivalent KTe5 trigonal bipyramids, edges with six equivalent NaTe4 tetrahedra, and edges with six equivalent KTe5 trigonal bipyramids. There are a spread of K–Te bond distances ranging from 3.56–3.70 Å. Na1+ is bonded to four equivalent Te2- atoms to form NaTe4 tetrahedra that share corners with eight equivalent NaTe4 tetrahedra, corners with eight equivalent KTe5 trigonal bipyramids, edges with two equivalent NaTe4 tetrahedra, and edges with six equivalent KTe5 trigonal bipyramids. There are a spread of Na–Te bond distances ranging from 3.16–3.21 Å. Te2- is bonded in a 9-coordinate geometry to five equivalent K1+ and four equivalent Na1+ atoms.