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.