Materials Data on HfGe2Ru by Materials Project

Abstract

HfRuGe2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 12-coordinate geometry to four Ru and eight Ge atoms. There are a spread of Hf–Ru bond distances ranging from 3.06–3.24 Å. There are a spread of Hf–Ge bond distances ranging from 2.71–3.02 Å. In the second Hf site, Hf is bonded in a 7-coordinate geometry to six Ru and seven Ge atoms. There are a spread of Hf–Ru bond distances ranging from 3.06–3.28 Å. There are a spread of Hf–Ge bond distances ranging from 2.80–2.98 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 12-coordinate geometry to five Hf, one Ru, and six Ge atoms. The Ru–Ru bond length is 2.85 Å. There are a spread of Ru–Ge bond distances ranging from 2.48–2.67 Å. In the second Ru site, Ru is bonded in a 12-coordinate geometry to four Hf, two equivalent Ru, and six Ge atoms. There are a spread of Ru–Ge bond distances ranging from 2.53–2.61 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to five Hf and four Ru atoms. In the second Ge site, Ge is bonded in a 7-coordinate geometry to three Hf, three Ru, and one Ge atom. The Ge–Ge bond length is 2.47 Å. In the third Ge site, Ge is bonded in a 7-coordinate geometry to four equivalent Hf, two equivalent Ru, and one Ge atom. The Ge–Ge bond length is 2.53 Å. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to six Hf, two equivalent Ru, and one Ge atom. The Ge–Ge bond length is 2.53 Å. In the fifth Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Hf and four Ru atoms.