Nd2RuO5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to one O(1), one O(2), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form distorted NdO7 hexagonal pyramids that share corners with three equivalent Ru(1)O5 trigonal bipyramids, edges with two equivalent Nd(1)O7 hexagonal pyramids, and edges with two equivalent Ru(1)O5 trigonal bipyramids. In the second Nd site, Nd(2) is bonded in a distorted body-centered cubic geometry to one O(3), one O(4), one O(5), two equivalent O(2), and three equivalent O(1) atoms. Ru(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form distorted RuO5 trigonal bipyramids that share corners with three equivalent Nd(1)O7 hexagonal pyramids, corners with two equivalent Ru(1)O5 trigonal bipyramids, and edges with two equivalent Nd(1)O7 hexagonal pyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Nd(1) and three equivalent Nd(2) atoms to form ONd4 tetrahedra that share corners with two equivalent O(1)Nd4 tetrahedra, corners with five equivalent O(2)Nd3Ru tetrahedra, corners with five equivalent O(3)Nd3Ru tetrahedra,  a cornercorner with one O(4)Nd3Ru trigonal pyramid, corners with two equivalent O(5)Nd2Ru2 trigonal pyramids,  an edgeedge with one O(2)Nd3Ru tetrahedra, edges with two equivalent O(1)Nd4 tetrahedra,  an edgeedge with one O(5)Nd2Ru2 trigonal pyramid, and edges with two equivalent O(4)Nd3Ru trigonal pyramids. In the second O site, O(2) is bonded to one Nd(1), two equivalent Nd(2), and one Ru(1) atom to form distorted ONd3Ru tetrahedra that share  a cornercorner with one O(3)Nd3Ru tetrahedra, corners with two equivalent O(2)Nd3Ru tetrahedra, corners with five equivalent O(1)Nd4 tetrahedra,  a cornercorner with one O(5)Nd2Ru2 trigonal pyramid, corners with five equivalent O(4)Nd3Ru trigonal pyramids,  an edgeedge with one O(1)Nd4 tetrahedra, edges with two equivalent O(3)Nd3Ru tetrahedra, and edges with two equivalent O(5)Nd2Ru2 trigonal pyramids. In the third O site, O(3) is bonded to one Nd(2), two equivalent Nd(1), and one Ru(1) atom to form ONd3Ru tetrahedra that share  a cornercorner with one O(2)Nd3Ru tetrahedra, corners with two equivalent O(3)Nd3Ru tetrahedra, corners with five equivalent O(1)Nd4 tetrahedra,  a cornercorner with one O(5)Nd2Ru2 trigonal pyramid, corners with two equivalent O(4)Nd3Ru trigonal pyramids, edges with two equivalent O(2)Nd3Ru tetrahedra, edges with two equivalent O(5)Nd2Ru2 trigonal pyramids, and edges with two equivalent O(4)Nd3Ru trigonal pyramids. In the fourth O site, O(4) is bonded to one Nd(2), two equivalent Nd(1), and one Ru(1) atom to form distorted ONd3Ru trigonal pyramids that share  a cornercorner with one O(1)Nd4 tetrahedra, corners with two equivalent O(3)Nd3Ru tetrahedra, corners with five equivalent O(2)Nd3Ru tetrahedra, corners with two equivalent O(4)Nd3Ru trigonal pyramids, corners with five equivalent O(5)Nd2Ru2 trigonal pyramids, edges with two equivalent O(3)Nd3Ru tetrahedra, and edges with two equivalent O(1)Nd4 tetrahedra. In the fifth O site, O(5) is bonded to one Nd(1), one Nd(2), and two equivalent Ru(1) atoms to form distorted ONd2Ru2 trigonal pyramids that share  a cornercorner with one O(2)Nd3Ru tetrahedra,  a cornercorner with one O(3)Nd3Ru tetrahedra, corners with two equivalent O(1)Nd4 tetrahedra, corners with two equivalent O(5)Nd2Ru2 trigonal pyramids, corners with five equivalent O(4)Nd3Ru trigonal pyramids,  an edgeedge with one O(1)Nd4 tetrahedra, edges with two equivalent O(2)Nd3Ru tetrahedra, and edges with two equivalent O(3)Nd3Ru tetrahedra.
Nd2RuO5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to one O(1), one O(2), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form distorted NdO7 hexagonal pyramids that share corners with three equivalent Ru(1)O5 trigonal bipyramids, edges with two equivalent Nd(1)O7 hexagonal pyramids, and edges with two equivalent Ru(1)O5 trigonal bipyramids. The Nd(1)-O(1) bond length is 2.34 Å. The Nd(1)-O(2) bond length is 2.49 Å. The Nd(1)-O(5) bond length is 2.48 Å. Both Nd(1)-O(3) bond lengths are 2.39 Å. Both Nd(1)-O(4) bond lengths are 2.48 Å. In the second Nd site, Nd(2) is bonded in a distorted body-centered cubic geometry to one O(3), one O(4), one O(5), two equivalent O(2), and three equivalent O(1) atoms. The Nd(2)-O(3) bond length is 2.42 Å. The Nd(2)-O(4) bond length is 2.91 Å. The Nd(2)-O(5) bond length is 2.52 Å. Both Nd(2)-O(2) bond lengths are 2.55 Å. There are two shorter (2.40 Å) and one longer (2.41 Å) Nd(2)-O(1) bond length. Ru(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form distorted RuO5 trigonal bipyramids that share corners with three equivalent Nd(1)O7 hexagonal pyramids, corners with two equivalent Ru(1)O5 trigonal bipyramids, and edges with two equivalent Nd(1)O7 hexagonal pyramids. The Ru(1)-O(2) bond length is 1.90 Å. The Ru(1)-O(3) bond length is 1.99 Å. The Ru(1)-O(4) bond length is 1.91 Å. Both Ru(1)-O(5) bond lengths are 2.06 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Nd(1) and three equivalent Nd(2) atoms to form ONd4 tetrahedra that share corners with two equivalent O(1)Nd4 tetrahedra, corners with five equivalent O(2)Nd3Ru tetrahedra, corners with five equivalent O(3)Nd3Ru tetrahedra,  a cornercorner with one O(4)Nd3Ru trigonal pyramid, corners with two equivalent O(5)Nd2Ru2 trigonal pyramids,  an edgeedge with one O(2)Nd3Ru tetrahedra, edges with two equivalent O(1)Nd4 tetrahedra,  an edgeedge with one O(5)Nd2Ru2 trigonal pyramid, and edges with two equivalent O(4)Nd3Ru trigonal pyramids. In the second O site, O(2) is bonded to one Nd(1), two equivalent Nd(2), and one Ru(1) atom to form distorted ONd3Ru tetrahedra that share  a cornercorner with one O(3)Nd3Ru tetrahedra, corners with two equivalent O(2)Nd3Ru tetrahedra, corners with five equivalent O(1)Nd4 tetrahedra,  a cornercorner with one O(5)Nd2Ru2 trigonal pyramid, corners with five equivalent O(4)Nd3Ru trigonal pyramids,  an edgeedge with one O(1)Nd4 tetrahedra, edges with two equivalent O(3)Nd3Ru tetrahedra, and edges with two equivalent O(5)Nd2Ru2 trigonal pyramids. In the third O site, O(3) is bonded to one Nd(2), two equivalent Nd(1), and one Ru(1) atom to form ONd3Ru tetrahedra that share  a cornercorner with one O(2)Nd3Ru tetrahedra, corners with two equivalent O(3)Nd3Ru tetrahedra, corners with five equivalent O(1)Nd4 tetrahedra,  a cornercorner with one O(5)Nd2Ru2 trigonal pyramid, corners with two equivalent O(4)Nd3Ru trigonal pyramids, edges with two equivalent O(2)Nd3Ru tetrahedra, edges with two equivalent O(5)Nd2Ru2 trigonal pyramids, and edges with two equivalent O(4)Nd3Ru trigonal pyramids. In the fourth O site, O(4) is bonded to one Nd(2), two equivalent Nd(1), and one Ru(1) atom to form distorted ONd3Ru trigonal pyramids that share  a cornercorner with one O(1)Nd4 tetrahedra, corners with two equivalent O(3)Nd3Ru tetrahedra, corners with five equivalent O(2)Nd3Ru tetrahedra, corners with two equivalent O(4)Nd3Ru trigonal pyramids, corners with five equivalent O(5)Nd2Ru2 trigonal pyramids, edges with two equivalent O(3)Nd3Ru tetrahedra, and edges with two equivalent O(1)Nd4 tetrahedra. In the fifth O site, O(5) is bonded to one Nd(1), one Nd(2), and two equivalent Ru(1) atoms to form distorted ONd2Ru2 trigonal pyramids that share  a cornercorner with one O(2)Nd3Ru tetrahedra,  a cornercorner with one O(3)Nd3Ru tetrahedra, corners with two equivalent O(1)Nd4 tetrahedra, corners with two equivalent O(5)Nd2Ru2 trigonal pyramids, corners with five equivalent O(4)Nd3Ru trigonal pyramids,  an edgeedge with one O(1)Nd4 tetrahedra, edges with two equivalent O(2)Nd3Ru tetrahedra, and edges with two equivalent O(3)Nd3Ru tetrahedra.