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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Tm2AlSi2 by Materials Project

Tm2AlSi2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Tm is bonded in a 10-coordinate geometry to six equivalent Si atoms. There are four shorter (2.96 Å) and two longer (2.97 Å) Tm–Si bond lengths. Al is bonded in a 12-coordinate geometry to four equivalent Si atoms. All Al–Si bond lengths are 2.61 Å. Si is bonded in a 9-coordinate geometry to six equivalent Tm, two equivalent Al, and one Si atom. The Si–Si bond length is 2.41 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm2Al3Si2 by Materials Project

Tm2Al3Si2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to six Al and five equivalent Si atoms. There are a spread of Tm–Al bond distances ranging from 3.00–3.22 Å. There are a spread of Tm–Si bond distances ranging from 2.85–2.98 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted water-like geometry to four equivalent Tm and two equivalent Si atoms. Both Al–Si bond lengths are 2.60 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to four equivalent Tm and two equivalent Si atoms. Both Al–Si bond lengths are 2.71 Å. Si is bonded in a 9-coordinate geometry to five equivalent Tm, three Al, and one Si atom. The Si–Si bond length is 2.38 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmAlSi by Materials Project

TmAlSi crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tm is bonded in a 2-coordinate geometry to four equivalent Al and five equivalent Si atoms. All Tm–Al bond lengths are 3.14 Å. There are a spread of Tm–Si bond distances ranging from 2.88–3.01 Å. Al is bonded in a 12-coordinate geometry to four equivalent Tm and four equivalent Si atoms. All Al–Si bond lengths are 2.65 Å. Si is bonded in a 9-coordinate geometry to five equivalent Tm and four equivalent Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm12Al7Si by Materials Project

Tm12Al7Si crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Tm sites. In the first Tm site, Tm is bonded in a 4-coordinate geometry to six Al atoms. There are a spread of Tm–Al bond distances ranging from 2.93–3.66 Å. In the second Tm site, Tm is bonded in a 6-coordinate geometry to five Al and one Si atom. There are a spread of Tm–Al bond distances ranging from 2.98–3.26 Å. The Tm–Si bond length is 2.96 Å. In the third Tm site, Tm is bonded in a 5-coordinate geometry to five Al atoms. There are a spread of Tm–Al bond distances ranging from 3.06–3.42 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to nine Tm atoms. In the second Al site, Al is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. In the third Al site, Al is bonded in a 10-coordinate geometry to nine Tm and one Al atom. The Al–Al bond length is 2.74 Å. Si is bonded in a 8-coordinate geometry to eight equivalent Tm atoms.

36 MATERIALS SCIENCE↗