Y2Ni3N4 crystallizes in the monoclinic C2/c space group. Y(1) is bonded in a 5-coordinate geometry to two equivalent N(1) and three equivalent N(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Ni site, Ni(2) is bonded in a linear geometry to two equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Y(1), one Ni(2), and two equivalent Ni(1) atoms to form distorted NY2Ni3 square pyramids that share  a cornercorner with one N(1)Y2Ni3 square pyramid, corners with six equivalent N(2)Y3Ni2 trigonal bipyramids, edges with two equivalent N(1)Y2Ni3 square pyramids, and edges with two equivalent N(2)Y3Ni2 trigonal bipyramids. In the second N site, N(2) is bonded to three equivalent Y(1) and two equivalent Ni(1) atoms to form NY3Ni2 trigonal bipyramids that share corners with six equivalent N(1)Y2Ni3 square pyramids, corners with two equivalent N(2)Y3Ni2 trigonal bipyramids, edges with two equivalent N(1)Y2Ni3 square pyramids, and edges with three equivalent N(2)Y3Ni2 trigonal bipyramids.
Y2Ni3N4 crystallizes in the monoclinic C2/c space group. Y(1) is bonded in a 5-coordinate geometry to two equivalent N(1) and three equivalent N(2) atoms. There is one shorter (2.26 Å) and one longer (2.49 Å) Y(1)-N(1) bond length. There are a spread of Y(1)-N(2) bond distances ranging from 2.33-2.41 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(2) atoms. There is one shorter (1.91 Å) and one longer (1.95 Å) Ni(1)-N(1) bond length. There is one shorter (1.94 Å) and one longer (1.98 Å) Ni(1)-N(2) bond length. In the second Ni site, Ni(2) is bonded in a linear geometry to two equivalent N(1) atoms. Both Ni(2)-N(1) bond lengths are 1.83 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Y(1), one Ni(2), and two equivalent Ni(1) atoms to form distorted NY2Ni3 square pyramids that share  a cornercorner with one N(1)Y2Ni3 square pyramid, corners with six equivalent N(2)Y3Ni2 trigonal bipyramids, edges with two equivalent N(1)Y2Ni3 square pyramids, and edges with two equivalent N(2)Y3Ni2 trigonal bipyramids. In the second N site, N(2) is bonded to three equivalent Y(1) and two equivalent Ni(1) atoms to form NY3Ni2 trigonal bipyramids that share corners with six equivalent N(1)Y2Ni3 square pyramids, corners with two equivalent N(2)Y3Ni2 trigonal bipyramids, edges with two equivalent N(1)Y2Ni3 square pyramids, and edges with three equivalent N(2)Y3Ni2 trigonal bipyramids.