Nd3MnBi5 crystallizes in the hexagonal P6_3/mcm space group. Nd(1) is bonded in a 9-coordinate geometry to four equivalent Bi(1) and five equivalent Bi(2) atoms. Mn(1) is bonded to six equivalent Bi(2) atoms to form face-sharing MnBi6 octahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 8-coordinate geometry to six equivalent Nd(1) and two equivalent Bi(1) atoms. In the second Bi site, Bi(2) is bonded to five equivalent Nd(1) and two equivalent Mn(1) atoms to form a mixture of distorted face, corner, and edge-sharing BiNd5Mn2 pentagonal bipyramids.
Nd3MnBi5 crystallizes in the hexagonal P6_3/mcm space group. Nd(1) is bonded in a 9-coordinate geometry to four equivalent Bi(1) and five equivalent Bi(2) atoms. All Nd(1)-Bi(1) bond lengths are 3.44 Å. There are a spread of Nd(1)-Bi(2) bond distances ranging from 3.24-3.54 Å. Mn(1) is bonded to six equivalent Bi(2) atoms to form face-sharing MnBi6 octahedra. All Mn(1)-Bi(2) bond lengths are 2.95 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 8-coordinate geometry to six equivalent Nd(1) and two equivalent Bi(1) atoms. Both Bi(1)-Bi(1) bond lengths are 3.26 Å. In the second Bi site, Bi(2) is bonded to five equivalent Nd(1) and two equivalent Mn(1) atoms to form a mixture of distorted face, corner, and edge-sharing BiNd5Mn2 pentagonal bipyramids.