Materials Data on DyAl3Ni2 by Materials Project

Abstract

DyNi2Al3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 6-coordinate geometry to six equivalent Ni and twelve Al atoms. All Dy–Ni bond lengths are 3.12 Å. There are six shorter (3.18 Å) and six longer (3.30 Å) Dy–Al bond lengths. In the second Dy site, Dy is bonded in a hexagonal planar geometry to six equivalent Ni atoms. All Dy–Ni bond lengths are 2.83 Å. Ni is bonded in a 9-coordinate geometry to three Dy and six Al atoms. There are four shorter (2.48 Å) and two longer (2.50 Å) Ni–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to four equivalent Dy and four equivalent Ni atoms. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Dy and four equivalent Ni atoms.