Nd2BiN crystallizes in the tetragonal P4/nmm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to four equivalent Bi(1) and four equivalent N(1) atoms to form a mixture of distorted face and edge-sharing NdBi4N4 trigonal pyramids. In the second Nd site, Nd(2) is bonded in a distorted single-bond geometry to five equivalent Bi(1) and one N(1) atom. Bi(1) is bonded to four equivalent Nd(1) and five equivalent Nd(2) atoms to form distorted BiNd9 square pyramids that share corners with four equivalent Bi(1)Nd9 square pyramids, corners with five equivalent N(1)Nd5 trigonal bipyramids, edges with eight equivalent Bi(1)Nd9 square pyramids, faces with four equivalent Bi(1)Nd9 square pyramids, and faces with five equivalent N(1)Nd5 trigonal bipyramids. N(1) is bonded to one Nd(2) and four equivalent Nd(1) atoms to form distorted NNd5 trigonal bipyramids that share corners with five equivalent Bi(1)Nd9 square pyramids, corners with four equivalent N(1)Nd5 trigonal bipyramids, edges with four equivalent N(1)Nd5 trigonal bipyramids, and faces with five equivalent Bi(1)Nd9 square pyramids.
Nd2BiN crystallizes in the tetragonal P4/nmm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to four equivalent Bi(1) and four equivalent N(1) atoms to form a mixture of distorted face and edge-sharing NdBi4N4 trigonal pyramids. All Nd(1)-Bi(1) bond lengths are 3.73 Å. All Nd(1)-N(1) bond lengths are 2.49 Å. In the second Nd site, Nd(2) is bonded in a distorted single-bond geometry to five equivalent Bi(1) and one N(1) atom. There are four shorter (3.35 Å) and one longer (3.48 Å) Nd(2)-Bi(1) bond length. The Nd(2)-N(1) bond length is 2.28 Å. Bi(1) is bonded to four equivalent Nd(1) and five equivalent Nd(2) atoms to form distorted BiNd9 square pyramids that share corners with four equivalent Bi(1)Nd9 square pyramids, corners with five equivalent N(1)Nd5 trigonal bipyramids, edges with eight equivalent Bi(1)Nd9 square pyramids, faces with four equivalent Bi(1)Nd9 square pyramids, and faces with five equivalent N(1)Nd5 trigonal bipyramids. N(1) is bonded to one Nd(2) and four equivalent Nd(1) atoms to form distorted NNd5 trigonal bipyramids that share corners with five equivalent Bi(1)Nd9 square pyramids, corners with four equivalent N(1)Nd5 trigonal bipyramids, edges with four equivalent N(1)Nd5 trigonal bipyramids, and faces with five equivalent Bi(1)Nd9 square pyramids.