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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ho2AlSi2 by Materials Project

Ho2AlSi2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ho is bonded in a 10-coordinate geometry to six equivalent Si atoms. There are four shorter (2.98 Å) and two longer (3.00 Å) Ho–Si bond lengths. Al is bonded in a 12-coordinate geometry to four equivalent Si atoms. All Al–Si bond lengths are 2.62 Å. Si is bonded in a 9-coordinate geometry to six equivalent Ho, two equivalent Al, and one Si atom. The Si–Si bond length is 2.41 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho2Al3Si2 by Materials Project

Ho2Al3Si2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to six Al and five equivalent Si atoms. There are a spread of Ho–Al bond distances ranging from 3.02–3.24 Å. There are a spread of Ho–Si bond distances ranging from 2.87–3.00 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted water-like geometry to four equivalent Ho and two equivalent Si atoms. Both Al–Si bond lengths are 2.61 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to four equivalent Ho and two equivalent Si atoms. Both Al–Si bond lengths are 2.72 Å. Si is bonded in a 9-coordinate geometry to five equivalent Ho, three Al, and one Si atom. The Si–Si bond length is 2.38 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoAlSi by Materials Project

HoAlSi crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho is bonded in a 5-coordinate geometry to four equivalent Al and five equivalent Si atoms. All Ho–Al bond lengths are 3.16 Å. There are a spread of Ho–Si bond distances ranging from 2.91–3.02 Å. Al is bonded in a 12-coordinate geometry to four equivalent Ho and four equivalent Si atoms. All Al–Si bond lengths are 2.66 Å. Si is bonded in a 9-coordinate geometry to five equivalent Ho and four equivalent Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho12Al7Si by Materials Project

Ho12Al7Si crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 4-coordinate geometry to six Al atoms. There are a spread of Ho–Al bond distances ranging from 2.96–3.70 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to five Al and one Si atom. There are a spread of Ho–Al bond distances ranging from 3.02–3.31 Å. The Ho–Si bond length is 3.00 Å. In the third Ho site, Ho is bonded in a 5-coordinate geometry to five Al atoms. There are a spread of Ho–Al bond distances ranging from 3.09–3.48 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to nine Ho atoms. In the second Al site, Al is bonded in a body-centered cubic geometry to eight equivalent Ho atoms. In the third Al site, Al is bonded in a 10-coordinate geometry to nine Ho and one Al atom. The Al–Al bond length is 2.75 Å. Si is bonded in a 8-coordinate geometry to eight equivalent Ho atoms.

36 MATERIALS SCIENCE↗