Nd2AuP3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 9-coordinate geometry to two equivalent Au(1), one P(1), two equivalent P(2), and four equivalent P(3) atoms. In the second Nd site, Nd(2) is bonded in a 6-coordinate geometry to three equivalent P(1) and three equivalent P(2) atoms. Au(1) is bonded in a 4-coordinate geometry to two equivalent Nd(1), two equivalent P(1), and two equivalent P(3) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded to one Nd(1), three equivalent Nd(2), and two equivalent Au(1) atoms to form PNd4Au2 octahedra that share corners with five equivalent P(2)Nd5P octahedra, edges with three equivalent P(2)Nd5P octahedra, and edges with four equivalent P(1)Nd4Au2 octahedra. The corner-sharing octahedral tilt angles range from 20-65°. In the second P site, P(2) is bonded to two equivalent Nd(1), three equivalent Nd(2), and one P(3) atom to form distorted PNd5P octahedra that share corners with five equivalent P(1)Nd4Au2 octahedra, edges with three equivalent P(1)Nd4Au2 octahedra, and edges with four equivalent P(2)Nd5P octahedra. The corner-sharing octahedral tilt angles range from 20-65°. In the third P site, P(3) is bonded in a 6-coordinate geometry to four equivalent Nd(1), two equivalent Au(1), and one P(2) atom.
Nd2AuP3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 9-coordinate geometry to two equivalent Au(1), one P(1), two equivalent P(2), and four equivalent P(3) atoms. There is one shorter (3.25 Å) and one longer (3.31 Å) Nd(1)-Au(1) bond length. The Nd(1)-P(1) bond length is 2.86 Å. There is one shorter (2.89 Å) and one longer (2.99 Å) Nd(1)-P(2) bond length. There are a spread of Nd(1)-P(3) bond distances ranging from 2.94-3.34 Å. In the second Nd site, Nd(2) is bonded in a 6-coordinate geometry to three equivalent P(1) and three equivalent P(2) atoms. There are a spread of Nd(2)-P(1) bond distances ranging from 2.88-2.92 Å. There are a spread of Nd(2)-P(2) bond distances ranging from 2.97-3.05 Å. Au(1) is bonded in a 4-coordinate geometry to two equivalent Nd(1), two equivalent P(1), and two equivalent P(3) atoms. There is one shorter (2.49 Å) and one longer (2.50 Å) Au(1)-P(1) bond length. There is one shorter (2.55 Å) and one longer (2.76 Å) Au(1)-P(3) bond length. There are three inequivalent P sites. In the first P site, P(1) is bonded to one Nd(1), three equivalent Nd(2), and two equivalent Au(1) atoms to form PNd4Au2 octahedra that share corners with five equivalent P(2)Nd5P octahedra, edges with three equivalent P(2)Nd5P octahedra, and edges with four equivalent P(1)Nd4Au2 octahedra. The corner-sharing octahedral tilt angles range from 20-65°. In the second P site, P(2) is bonded to two equivalent Nd(1), three equivalent Nd(2), and one P(3) atom to form distorted PNd5P octahedra that share corners with five equivalent P(1)Nd4Au2 octahedra, edges with three equivalent P(1)Nd4Au2 octahedra, and edges with four equivalent P(2)Nd5P octahedra. The corner-sharing octahedral tilt angles range from 20-65°. The P(2)-P(3) bond length is 2.20 Å. In the third P site, P(3) is bonded in a 6-coordinate geometry to four equivalent Nd(1), two equivalent Au(1), and one P(2) atom.