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Materials Data on BaLiGe2 by Materials Project

LiBaGe2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.74–2.91 Å. Ba is bonded in a 5-coordinate geometry to nine Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.41–3.62 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 3-coordinate geometry to three equivalent Li, four equivalent Ba, and two equivalent Ge atoms. There are one shorter (2.51 Å) and one longer (2.57 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Li, five equivalent Ba, and two equivalent Ge atoms.

36 MATERIALS SCIENCE↗