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NdAu is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Nd–Au bond lengths are 3.23 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Nd atoms.
Nd3Au4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Nd is bonded in a 9-coordinate geometry to nine Au atoms. There are a spread of Nd–Au bond distances ranging from 3.00–3.42 Å. There are three inequivalent Au sites. In the first Au site, Au is bonded in a distorted octahedral geometry to six equivalent Nd atoms. In the second Au site, Au is bonded in a 7-coordinate geometry to seven equivalent Nd atoms. In the third Au site, Au is bonded in a 6-coordinate geometry to six equivalent Nd atoms.
NdAu3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nd3+ is bonded to twelve equivalent Au1- atoms to form a mixture of face and corner-sharing NdAu12 cuboctahedra. There are six shorter (3.15 Å) and six longer (3.25 Å) Nd–Au bond lengths. Au1- is bonded in a distorted rectangular see-saw-like geometry to four equivalent Nd3+ atoms.
NdAu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nd3+ is bonded in a distorted body-centered cubic geometry to fourteen Au1- atoms. There are eight shorter (3.06 Å) and six longer (3.53 Å) Nd–Au bond lengths. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded to four equivalent Nd3+ and four equivalent Au1- atoms to form a mixture of distorted corner, edge, and face-sharing AuNd4Au4 tetrahedra. All Au–Au bond lengths are 3.06 Å. In the second Au1- site, Au1- is bonded in a 8-coordinate geometry to six equivalent Nd3+ and eight equivalent Au1- atoms.
Nd3Au is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to four equivalent Au atoms to form a mixture of distorted edge and corner-sharing NdAu4 cuboctahedra. All Nd–Au bond lengths are 3.51 Å. In the second Nd site, Nd is bonded in a square co-planar geometry to four equivalent Au atoms. All Nd–Au bond lengths are 3.32 Å. Au is bonded to twelve Nd atoms to form a mixture of edge, face, and corner-sharing AuNd12 cuboctahedra.
NdAu is alpha-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 7-coordinate geometry to seven equivalent Au atoms. There are a spread of Nd–Au bond distances ranging from 3.13–3.21 Å. Au is bonded in a 7-coordinate geometry to seven equivalent Nd atoms.
NdAu crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd is bonded in a 7-coordinate geometry to seven equivalent Au atoms. There are a spread of Nd–Au bond distances ranging from 3.11–3.21 Å. Au is bonded in a 7-coordinate geometry to seven equivalent Nd atoms.