Nd2Au is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to four equivalent Au(1) atoms to form a mixture of distorted corner and edge-sharing NdAu4 tetrahedra. In the second Nd site, Nd(2) is bonded in a 3-coordinate geometry to three equivalent Au(1) atoms. Au(1) is bonded in a 7-coordinate geometry to three equivalent Nd(2) and four equivalent Nd(1) atoms.
Nd2Au is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to four equivalent Au(1) atoms to form a mixture of distorted corner and edge-sharing NdAu4 tetrahedra. There are a spread of Nd(1)-Au(1) bond distances ranging from 2.98-3.16 Å. In the second Nd site, Nd(2) is bonded in a 3-coordinate geometry to three equivalent Au(1) atoms. There is one shorter (3.02 Å) and two longer (3.21 Å) Nd(2)-Au(1) bond lengths. Au(1) is bonded in a 7-coordinate geometry to three equivalent Nd(2) and four equivalent Nd(1) atoms.