Materials Data on RbHfAgTe3 by Materials Project

Abstract

RbHfAgTe3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.70–4.31 Å. Hf4+ is bonded to six Te2- atoms to form edge-sharing HfTe6 octahedra. There are a spread of Hf–Te bond distances ranging from 2.83–2.99 Å. Ag1+ is bonded in a 4-coordinate geometry to two equivalent Ag1+ and four Te2- atoms. Both Ag–Ag bond lengths are 3.01 Å. There are a spread of Ag–Te bond distances ranging from 2.79–2.95 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 7-coordinate geometry to three equivalent Rb1+, one Hf4+, and three equivalent Ag1+ atoms. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to three equivalent Rb1+, two equivalent Hf4+, and one Ag1+ atom. In the third Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three equivalent Hf4+ atoms.