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Materials Data on Tb2Al3Si2 by Materials Project

Tb2Al3Si2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to six Al and five equivalent Si atoms. There are a spread of Tb–Al bond distances ranging from 3.03–3.26 Å. There are a spread of Tb–Si bond distances ranging from 2.90–3.02 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to four equivalent Tb and two equivalent Si atoms. Both Al–Si bond lengths are 2.62 Å. In the second Al site, Al is bonded in a 6-coordinate geometry to four equivalent Tb 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 Tb, three Al, and one Si atom. The Si–Si bond length is 2.39 Å.

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