Materials Data on Ga3GePt8 by Materials Project

Abstract

Pt8Ga3Ge crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are eight inequivalent Pt+1.50- sites. In the first Pt+1.50- site, Pt+1.50- is bonded in a 4-coordinate geometry to three Ga+2.67+ and two equivalent Ge4+ atoms. There are one shorter (2.62 Å) and two longer (2.66 Å) Pt–Ga bond lengths. There are one shorter (2.53 Å) and one longer (3.08 Å) Pt–Ge bond lengths. In the second Pt+1.50- site, Pt+1.50- is bonded in a 4-coordinate geometry to four Ga+2.67+ and one Ge4+ atom. There are a spread of Pt–Ga bond distances ranging from 2.57–3.03 Å. The Pt–Ge bond length is 2.59 Å. In the third Pt+1.50- site, Pt+1.50- is bonded in a 4-coordinate geometry to three Ga+2.67+ and two equivalent Ge4+ atoms. There are a spread of Pt–Ga bond distances ranging from 2.56–3.06 Å. Both Pt–Ge bond lengths are 2.62 Å. In the fourth Pt+1.50- site, Pt+1.50- is bonded in a 4-coordinate geometry to five Ga+2.67+ atoms. There are a spread of Pt–Ga bond distances ranging from 2.57–3.04 Å. In the fifth Pt+1.50- site, Pt+1.50- is bonded in a 5-coordinate geometry to five Ga+2.67+ atoms. There are a spread of Pt–Ga bond distances ranging from 2.59–2.92 Å. In the sixth Pt+1.50- site, Pt+1.50- is bonded in a 3-coordinate geometry to four Ga+2.67+ and one Ge4+ atom. There are two shorter (2.60 Å) and two longer (2.95 Å) Pt–Ga bond lengths. The Pt–Ge bond length is 2.59 Å. In the seventh Pt+1.50- site, Pt+1.50- is bonded in a 3-coordinate geometry to three Ga+2.67+ and two equivalent Ge4+ atoms. There are two shorter (2.58 Å) and one longer (2.59 Å) Pt–Ga bond lengths. Both Pt–Ge bond lengths are 2.97 Å. In the eighth Pt+1.50- site, Pt+1.50- is bonded in a 3-coordinate geometry to three Ga+2.67+ and two equivalent Ge4+ atoms. There are one shorter (2.61 Å) and two longer (2.98 Å) Pt–Ga bond lengths. Both Pt–Ge bond lengths are 2.58 Å. There are three inequivalent Ga+2.67+ sites. In the first Ga+2.67+ site, Ga+2.67+ is bonded in a 10-coordinate geometry to ten Pt+1.50- atoms. In the second Ga+2.67+ site, Ga+2.67+ is bonded in a 10-coordinate geometry to ten Pt+1.50- atoms. In the third Ga+2.67+ site, Ga+2.67+ is bonded in a 10-coordinate geometry to ten Pt+1.50- atoms. Ge4+ is bonded in a 10-coordinate geometry to ten Pt+1.50- atoms.