Materials Data on SmAu6 by Materials Project

Abstract

SmAu6 crystallizes in the tetragonal P4_2/ncm space group. The structure is three-dimensional. Sm3+ is bonded in a 11-coordinate geometry to fifteen Au+0.50- atoms. There are a spread of Sm–Au bond distances ranging from 3.06–3.48 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 Sm3+ and five Au+0.50- atoms. There are a spread of Au–Au bond distances ranging from 2.81–3.18 Å. In the second Au+0.50- site, Au+0.50- is bonded in a distorted bent 120 degrees geometry to three equivalent Sm3+ and four Au+0.50- atoms. There are a spread of Au–Au bond distances ranging from 2.88–2.98 Å. In the third Au+0.50- site, Au+0.50- is bonded in a 10-coordinate geometry to two equivalent Sm3+ and eight Au+0.50- atoms. In the fourth Au+0.50- site, Au+0.50- is bonded in a 12-coordinate geometry to two equivalent Sm3+ and ten Au+0.50- atoms. There are a spread of Au–Au bond distances ranging from 2.87–3.09 Å. In the fifth Au+0.50- site, Au+0.50- is bonded in a distorted linear geometry to two equivalent Sm3+ and four equivalent Au+0.50- atoms.