Materials Data on Yb7MgPt4 by Materials Project

Abstract

MgYb7Pt4 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. Mg is bonded to four Pt atoms to form distorted MgPt4 tetrahedra that share corners with two equivalent MgPt4 tetrahedra, corners with six YbPt4 tetrahedra, and edges with two equivalent YbPt4 tetrahedra. There are a spread of Mg–Pt bond distances ranging from 2.79–2.88 Å. There are seven inequivalent Yb sites. In the first Yb site, Yb is bonded in a 5-coordinate geometry to five Pt atoms. There are a spread of Yb–Pt bond distances ranging from 3.09–3.25 Å. In the second Yb site, Yb is bonded in a 5-coordinate geometry to five Pt atoms. There are a spread of Yb–Pt bond distances ranging from 3.07–3.30 Å. In the third Yb site, Yb is bonded in a 5-coordinate geometry to five Pt atoms. There are a spread of Yb–Pt bond distances ranging from 3.03–3.23 Å. In the fourth Yb site, Yb is bonded in a 5-coordinate geometry to five Pt atoms. There are a spread of Yb–Pt bond distances ranging from 3.01–3.22 Å. In the fifth Yb site, Yb is bonded to four Pt atoms to form distorted YbPt4 tetrahedra that share corners with two equivalent MgPt4 tetrahedra, corners with six YbPt4 tetrahedra, and edges with two equivalent YbPt4 tetrahedra. There are a spread of Yb–Pt bond distances ranging from 2.86–2.98 Å. In the sixth Yb site, Yb is bonded to four Pt atoms to form distorted YbPt4 tetrahedra that share corners with eight YbPt4 tetrahedra and edges with two equivalent MgPt4 tetrahedra. There are a spread of Yb–Pt bond distances ranging from 2.82–2.89 Å. In the seventh Yb site, Yb is bonded to four Pt atoms to form distorted YbPt4 tetrahedra that share corners with four equivalent MgPt4 tetrahedra, corners with four YbPt4 tetrahedra, and edges with two equivalent YbPt4 tetrahedra. There are a spread of Yb–Pt bond distances ranging from 2.88–2.96 Å. There are four inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to one Mg and eight Yb atoms. In the second Pt site, Pt is bonded in a 9-coordinate geometry to one Mg and eight Yb atoms. In the third Pt site, Pt is bonded in a 9-coordinate geometry to nine Yb atoms. In the fourth Pt site, Pt is bonded in a 9-coordinate geometry to two equivalent Mg and seven Yb atoms.