Materials Data on NaCeAgTe4 by Materials Project

Abstract

NaCeAgTe4 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are four shorter (3.29 Å) and four longer (3.63 Å) Na–Te bond lengths. Ce4+ is bonded in a 9-coordinate geometry to nine Te2- atoms. There are eight shorter (3.29 Å) and one longer (3.32 Å) Ce–Te bond lengths. Ag3+ is bonded to four equivalent Te2- atoms to form a mixture of edge and corner-sharing AgTe4 tetrahedra. All Ag–Te bond lengths are 2.90 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 8-coordinate geometry to two equivalent Na1+, two equivalent Ce4+, and four equivalent Te2- atoms. All Te–Te bond lengths are 3.15 Å. In the second Te2- site, Te2- is bonded to five equivalent Ce4+ atoms to form a mixture of distorted edge and corner-sharing TeCe5 trigonal bipyramids. In the third Te2- site, Te2- is bonded in a 8-coordinate geometry to four equivalent Na1+ and four equivalent Ag3+ atoms.