Materials Data on Dy10Al4Ge11 by Materials Project

Abstract

Dy10Al4Ge11 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are five inequivalent Dy sites. In the first Dy site, Dy is bonded in a 8-coordinate geometry to nine Ge atoms. There are a spread of Dy–Ge bond distances ranging from 3.00–3.51 Å. In the second Dy site, Dy is bonded in a 10-coordinate geometry to six Ge atoms. There are a spread of Dy–Ge bond distances ranging from 2.99–3.07 Å. In the third Dy site, Dy is bonded in a 10-coordinate geometry to six Ge atoms. There are a spread of Dy–Ge bond distances ranging from 2.99–3.07 Å. In the fourth Dy site, Dy is bonded in a 10-coordinate geometry to seven Ge atoms. There are a spread of Dy–Ge bond distances ranging from 2.97–3.50 Å. In the fifth Dy site, Dy is bonded in a 10-coordinate geometry to six Ge atoms. There are a spread of Dy–Ge bond distances ranging from 2.99–3.07 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to four Ge atoms. All Al–Ge bond lengths are 2.69 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to four Ge atoms. There are two shorter (2.69 Å) and two longer (2.70 Å) Al–Ge bond lengths. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Dy, two equivalent Al, and one Ge atom. The Ge–Ge bond length is 2.58 Å. In the second Ge site, Ge is bonded to eight Dy and four equivalent Ge atoms to form a mixture of edge and face-sharing GeDy8Ge4 cuboctahedra. All Ge–Ge bond lengths are 2.74 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Dy and three Ge atoms. The Ge–Ge bond length is 2.53 Å. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to six Dy, two equivalent Al, and one Ge atom. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to six Dy, two equivalent Al, and one Ge atom. The Ge–Ge bond length is 2.57 Å. In the sixth Ge site, Ge is bonded in a 9-coordinate geometry to six Dy, two equivalent Al, and one Ge atom.