Materials Data on Ba(AgTe)2 by Materials Project
BaAg2Te2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 7-coordinate geometry to seven Te2- atoms. There are a spread of Ba–Te bond distances ranging from 3.50–3.78 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to two equivalent Ag1+ and four Te2- atoms. Both Ag–Ag bond lengths are 2.94 Å. There are a spread of Ag–Te bond distances ranging from 2.87–2.95 Å. In the second Ag1+ site, Ag1+ is bonded to four Te2- atoms to form a mixture of corner and edge-sharing AgTe4 tetrahedra. There are a spread of Ag–Te bond distances ranging from 2.82–2.96 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to three equivalent Ba2+ and four Ag1+ atoms to form a mixture of distorted corner and edge-sharing TeBa3Ag4 pentagonal bipyramids. In the second Te2- site, Te2- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four Ag1+ atoms.