NdN2 crystallizes in the monoclinic Cm space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one N(1), one N(2), one N(4), one N(5), two equivalent N(3), and two equivalent N(6) atoms. In the second Nd site, Nd(2) is bonded in a 7-coordinate geometry to one N(1), one N(4), one N(6), two equivalent N(2), and two equivalent N(5) atoms. In the third Nd site, Nd(3) is bonded in a 6-coordinate geometry to one N(2), one N(3), one N(4), one N(5), and two equivalent N(1) atoms. There are six inequivalent N sites. In the first N site, N(1) is bonded to one Nd(1), one Nd(2), and two equivalent Nd(3) atoms to form distorted NNd4 trigonal pyramids that share corners with three equivalent N(6)Nd3N tetrahedra and corners with two equivalent N(1)Nd4 trigonal pyramids. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Nd(1), one Nd(3), two equivalent Nd(2), and one N(5) atom. In the third N site, N(3) is bonded in a distorted square co-planar geometry to one Nd(3), two equivalent Nd(1), and one N(6) atom. In the fourth N site, N(4) is bonded in a distorted T-shaped geometry to one Nd(1), one Nd(2), and one Nd(3) atom. In the fifth N site, N(5) is bonded in a 5-coordinate geometry to one Nd(1), one Nd(3), two equivalent Nd(2), and one N(2) atom. In the sixth N site, N(6) is bonded to one Nd(2), two equivalent Nd(1), and one N(3) atom to form distorted NNd3N tetrahedra that share corners with two equivalent N(6)Nd3N tetrahedra and corners with three equivalent N(1)Nd4 trigonal pyramids.
NdN2 crystallizes in the monoclinic Cm space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one N(1), one N(2), one N(4), one N(5), two equivalent N(3), and two equivalent N(6) atoms. The Nd(1)-N(1) bond length is 2.33 Å. The Nd(1)-N(2) bond length is 2.80 Å. The Nd(1)-N(4) bond length is 2.24 Å. The Nd(1)-N(5) bond length is 2.84 Å. Both Nd(1)-N(3) bond lengths are 2.56 Å. Both Nd(1)-N(6) bond lengths are 2.61 Å. In the second Nd site, Nd(2) is bonded in a 7-coordinate geometry to one N(1), one N(4), one N(6), two equivalent N(2), and two equivalent N(5) atoms. The Nd(2)-N(1) bond length is 2.27 Å. The Nd(2)-N(4) bond length is 2.28 Å. The Nd(2)-N(6) bond length is 2.76 Å. Both Nd(2)-N(2) bond lengths are 2.73 Å. Both Nd(2)-N(5) bond lengths are 2.59 Å. In the third Nd site, Nd(3) is bonded in a 6-coordinate geometry to one N(2), one N(3), one N(4), one N(5), and two equivalent N(1) atoms. The Nd(3)-N(2) bond length is 2.52 Å. The Nd(3)-N(3) bond length is 2.67 Å. The Nd(3)-N(4) bond length is 2.30 Å. The Nd(3)-N(5) bond length is 2.48 Å. Both Nd(3)-N(1) bond lengths are 2.60 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded to one Nd(1), one Nd(2), and two equivalent Nd(3) atoms to form distorted NNd4 trigonal pyramids that share corners with three equivalent N(6)Nd3N tetrahedra and corners with two equivalent N(1)Nd4 trigonal pyramids. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Nd(1), one Nd(3), two equivalent Nd(2), and one N(5) atom. The N(2)-N(5) bond length is 1.25 Å. In the third N site, N(3) is bonded in a distorted square co-planar geometry to one Nd(3), two equivalent Nd(1), and one N(6) atom. The N(3)-N(6) bond length is 1.20 Å. In the fourth N site, N(4) is bonded in a distorted T-shaped geometry to one Nd(1), one Nd(2), and one Nd(3) atom. In the fifth N site, N(5) is bonded in a 5-coordinate geometry to one Nd(1), one Nd(3), two equivalent Nd(2), and one N(2) atom. In the sixth N site, N(6) is bonded to one Nd(2), two equivalent Nd(1), and one N(3) atom to form distorted NNd3N tetrahedra that share corners with two equivalent N(6)Nd3N tetrahedra and corners with three equivalent N(1)Nd4 trigonal pyramids.