Materials Data on Nd(In2Au)2 by Materials Project
Nd(AuIn2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd is bonded in a 11-coordinate geometry to four Au and ten In atoms. There are two shorter (3.47 Å) and two longer (3.54 Å) Nd–Au bond lengths. There are a spread of Nd–In bond distances ranging from 3.33–3.76 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 7-coordinate geometry to two equivalent Nd and seven In atoms. There are a spread of Au–In bond distances ranging from 2.86–2.90 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to two equivalent Nd and seven In atoms. There are a spread of Au–In bond distances ranging from 2.83–3.04 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 3-coordinate geometry to three equivalent Nd and three equivalent Au atoms. In the second In site, In is bonded to one Nd and four Au atoms to form a mixture of distorted edge and corner-sharing InNdAu4 tetrahedra. In the third In site, In is bonded in a 4-coordinate geometry to three equivalent Nd and four Au atoms. In the fourth In site, In is bonded in a 3-coordinate geometry to three equivalent Nd and three equivalent Au atoms.