NdCrTiO5 crystallizes in the orthorhombic Pbam space group. Nd(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(1) atoms. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with four equivalent Cr(1)O5 square pyramids and edges with two equivalent Ti(1)O6 octahedra. Cr(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(4) atoms to form CrO5 square pyramids that share corners with four equivalent Ti(1)O6 octahedra and  an edgeedge with one Cr(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 49-54°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Nd(1), one Ti(1), and one Cr(1) atom to form distorted ONd2TiCr trigonal pyramids that share corners with two equivalent O(2)Nd2Ti2 trigonal pyramids, corners with six equivalent O(1)Nd2TiCr trigonal pyramids,  an edgeedge with one O(1)Nd2TiCr trigonal pyramid, and edges with two equivalent O(2)Nd2Ti2 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Nd(1) and two equivalent Ti(1) atoms to form distorted ONd2Ti2 trigonal pyramids that share corners with two equivalent O(2)Nd2Ti2 trigonal pyramids, corners with four equivalent O(1)Nd2TiCr trigonal pyramids,  an edgeedge with one O(2)Nd2Ti2 trigonal pyramid, and edges with four equivalent O(1)Nd2TiCr trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ti(1) and one Cr(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Nd(1) and two equivalent Cr(1) atoms.
NdCrTiO5 crystallizes in the orthorhombic Pbam space group. Nd(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(1) atoms. There is one shorter (2.44 Å) and one longer (2.51 Å) Nd(1)-O(2) bond length. Both Nd(1)-O(4) bond lengths are 2.44 Å. There are two shorter (2.46 Å) and two longer (2.57 Å) Nd(1)-O(1) bond lengths. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with four equivalent Cr(1)O5 square pyramids and edges with two equivalent Ti(1)O6 octahedra. Both Ti(1)-O(1) bond lengths are 1.97 Å. Both Ti(1)-O(2) bond lengths are 1.98 Å. Both Ti(1)-O(3) bond lengths are 1.98 Å. Cr(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(4) atoms to form CrO5 square pyramids that share corners with four equivalent Ti(1)O6 octahedra and  an edgeedge with one Cr(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 49-54°. The Cr(1)-O(3) bond length is 1.93 Å. Both Cr(1)-O(1) bond lengths are 2.01 Å. Both Cr(1)-O(4) bond lengths are 2.00 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Nd(1), one Ti(1), and one Cr(1) atom to form distorted ONd2TiCr trigonal pyramids that share corners with two equivalent O(2)Nd2Ti2 trigonal pyramids, corners with six equivalent O(1)Nd2TiCr trigonal pyramids,  an edgeedge with one O(1)Nd2TiCr trigonal pyramid, and edges with two equivalent O(2)Nd2Ti2 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Nd(1) and two equivalent Ti(1) atoms to form distorted ONd2Ti2 trigonal pyramids that share corners with two equivalent O(2)Nd2Ti2 trigonal pyramids, corners with four equivalent O(1)Nd2TiCr trigonal pyramids,  an edgeedge with one O(2)Nd2Ti2 trigonal pyramid, and edges with four equivalent O(1)Nd2TiCr trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ti(1) and one Cr(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Nd(1) and two equivalent Cr(1) atoms.