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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Dy2Al3Si2 by Materials Project

Dy2Al3Si2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to six Al and five equivalent Si atoms. There are a spread of Dy–Al bond distances ranging from 3.02–3.25 Å. There are a spread of Dy–Si bond distances ranging from 2.89–3.01 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted water-like geometry to four equivalent Dy and two equivalent Si atoms. Both Al–Si bond lengths are 2.61 Å. In the second Al site, Al is bonded in a 6-coordinate geometry to four equivalent Dy and two equivalent Si atoms. Both Al–Si bond lengths are 2.73 Å. Si is bonded in a 9-coordinate geometry to five equivalent Dy, three Al, and one Si atom. The Si–Si bond length is 2.38 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyAlSi by Materials Project

DyAlSi crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 5-coordinate geometry to four equivalent Al and five equivalent Si atoms. All Dy–Al bond lengths are 3.17 Å. There are a spread of Dy–Si bond distances ranging from 2.92–3.02 Å. Al is bonded in a 12-coordinate geometry to four equivalent Dy and four equivalent Si atoms. All Al–Si bond lengths are 2.67 Å. Si is bonded in a 9-coordinate geometry to five equivalent Dy and four equivalent Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyAlSi by Materials Project

DyAlSi crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Dy is bonded to six equivalent Al and six equivalent Si atoms to form a mixture of edge and face-sharing DyAl6Si6 cuboctahedra. There are four shorter (3.14 Å) and two longer (3.16 Å) Dy–Al bond lengths. There are four shorter (3.12 Å) and two longer (3.19 Å) Dy–Si bond lengths. Al is bonded in a distorted trigonal planar geometry to six equivalent Dy and three equivalent Si atoms. All Al–Si bond lengths are 2.39 Å. Si is bonded in a distorted trigonal planar geometry to six equivalent Dy and three equivalent Al atoms.

36 MATERIALS SCIENCE↗