Materials Data on Ga5Pt by Materials Project

Abstract

Ga5Pt crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.56–2.79 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.57–2.77 Å. There are eleven inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted single-bond geometry to one Pt and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.62–2.93 Å. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two Pt and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.52–2.92 Å. In the third Ga site, Ga is bonded in a distorted single-bond geometry to one Pt and three Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.66–2.87 Å. In the fourth Ga site, Ga is bonded in a 3-coordinate geometry to two equivalent Pt and five Ga atoms. There are one shorter (2.54 Å) and two longer (2.93 Å) Ga–Ga bond lengths. In the fifth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Pt and five Ga atoms. Both Ga–Ga bond lengths are 2.92 Å. In the sixth Ga site, Ga is bonded in a 1-coordinate geometry to one Pt and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.64–2.93 Å. In the seventh Ga site, Ga is bonded in a 1-coordinate geometry to one Pt and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.66–2.93 Å. In the eighth Ga site, Ga is bonded in a 3-coordinate geometry to three Pt and one Ga atom. In the ninth Ga site, Ga is bonded in a distorted trigonal non-coplanar geometry to three Pt and two Ga atoms. In the tenth Ga site, Ga is bonded in a 2-coordinate geometry to two Pt and two Ga atoms. In the eleventh Ga site, Ga is bonded in a 2-coordinate geometry to two Pt and two Ga atoms.