DOE OSTI2020
Yb4(Pt3Al8)3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 9-coordinate geometry to six Pt and eleven Al atoms. There are a spread of Yb–Pt bond distances ranging from 3.33–3.55 Å. There are a spread of Yb–Al bond distances ranging from 3.07–3.31 Å. In the second Yb site, Yb is bonded in a 9-coordinate geometry to six Pt and eleven Al atoms. There are a spread of Yb–Pt bond distances ranging from 3.31–3.56 Å. There are a spread of Yb–Al bond distances ranging from 3.08–3.31 Å. There are five inequivalent Pt sites. In the first Pt site, Pt is bonded in a 8-coordinate geometry to two Yb and eight Al atoms. There are a spread of Pt–Al bond distances ranging from 2.53–2.75 Å. In the second Pt site, Pt is bonded in a 8-coordinate geometry to two Yb and eight Al atoms. There are a spread of Pt–Al bond distances ranging from 2.53–2.76 Å. In the third Pt site, Pt is bonded in a 8-coordinate geometry to four Yb and eight Al atoms. There are a spread of Pt–Al bond distances ranging from 2.57–2.61 Å. In the fourth Pt site, Pt is bonded in a 8-coordinate geometry to two Yb and eight Al atoms. There are a spread of Pt–Al bond distances ranging from 2.54–2.76 Å. In the fifth Pt site, Pt is bonded in a 8-coordinate geometry to four Yb and eight Al atoms. There are a spread of Pt–Al bond distances ranging from 2.54–2.62 Å. There are twelve inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three Yb and three Pt atoms. In the second Al site, Al is bonded to four Pt atoms to form distorted AlPt4 tetrahedra that share corners with six AlYbPt4 tetrahedra and edges with three AlPt4 tetrahedra. In the third Al site, Al is bonded to one Yb and four Pt atoms to form a mixture of distorted corner and edge-sharing AlYbPt4 tetrahedra. In the fourth Al site, Al is bonded in a 3-coordinate geometry to two Yb and three Pt atoms. In the fifth Al site, Al is bonded in a 3-coordinate geometry to two Yb and three Pt atoms. In the sixth Al site, Al is bonded in a 3-coordinate geometry to two Yb and three Pt atoms. In the seventh Al site, Al is bonded in a 3-coordinate geometry to three Yb and three Pt atoms. In the eighth Al site, Al is bonded in a 3-coordinate geometry to two Yb and three Pt atoms. In the ninth Al site, Al is bonded to one Yb and four Pt atoms to form a mixture of distorted corner and edge-sharing AlYbPt4 tetrahedra. In the tenth Al site, Al is bonded in a 2-coordinate geometry to two Yb and two Pt atoms. In the eleventh Al site, Al is bonded in a 2-coordinate geometry to two Yb and two Pt atoms. In the twelfth Al site, Al is bonded in a 2-coordinate geometry to two Yb and two Pt atoms.