Materials Data on BaGe2Au5 by Materials Project
BaAu5Ge2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to fourteen Au and three Ge atoms. There are a spread of Ba–Au bond distances ranging from 3.45–3.79 Å. There are a spread of Ba–Ge bond distances ranging from 3.72–3.80 Å. There are three inequivalent Au sites. In the first Au site, Au is bonded in a 1-coordinate geometry to three equivalent Ba, five Au, and three Ge atoms. There are a spread of Au–Au bond distances ranging from 2.87–3.12 Å. There are a spread of Au–Ge bond distances ranging from 2.59–2.83 Å. In the second Au site, Au is bonded in a 1-coordinate geometry to three equivalent Ba, two equivalent Au, and two Ge atoms. There are one shorter (2.53 Å) and one longer (2.90 Å) Au–Ge bond lengths. In the third Au site, Au is bonded in a 3-coordinate geometry to two equivalent Ba, two equivalent Au, and three Ge atoms. There are a spread of Au–Ge bond distances ranging from 2.58–2.85 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 3-coordinate geometry to one Ba and eight Au atoms. In the second Ge site, Ge is bonded in a 5-coordinate geometry to two equivalent Ba and five Au atoms.