Materials Data on HoAu6 by Materials Project
HoAu6 crystallizes in the tetragonal P4_2/ncm space group. The structure is three-dimensional. Ho3+ is bonded in a 5-coordinate geometry to fifteen Au+0.50- atoms. There are a spread of Ho–Au bond distances ranging from 3.02–3.49 Å. There are five inequivalent Au+0.50- sites. In the first Au+0.50- site, Au+0.50- is bonded in a 2-coordinate geometry to three equivalent Ho3+ and five Au+0.50- atoms. There are a spread of Au–Au bond distances ranging from 2.81–3.15 Å. In the second Au+0.50- site, Au+0.50- is bonded in a distorted bent 120 degrees geometry to three equivalent Ho3+ and four Au+0.50- atoms. There are a spread of Au–Au bond distances ranging from 2.89–2.93 Å. In the third Au+0.50- site, Au+0.50- is bonded in a 10-coordinate geometry to two equivalent Ho3+ and eight Au+0.50- atoms. In the fourth Au+0.50- site, Au+0.50- is bonded in a distorted linear geometry to two equivalent Ho3+ and four equivalent Au+0.50- atoms. All Au–Au bond lengths are 2.85 Å. In the fifth Au+0.50- site, Au+0.50- is bonded in a 12-coordinate geometry to two equivalent Ho3+ and ten Au+0.50- atoms. There are a spread of Au–Au bond distances ranging from 2.89–3.11 Å.