NdHO is Fluorite-derived structured and crystallizes in the tetragonal P4/nmm space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a body-centered cubic geometry to four equivalent H(1) and four equivalent O(1) atoms. In the second Nd site, Nd(2) is bonded in a distorted body-centered cubic geometry to four equivalent H(1) and four equivalent O(1) atoms. In the third Nd site, Nd(3) is bonded in a body-centered cubic geometry to four equivalent H(1) and four equivalent O(1) atoms. H(1) is bonded to one Nd(1), one Nd(2), and two equivalent Nd(3) atoms to form HNd4 tetrahedra that share corners with eight equivalent H(1)Nd4 tetrahedra, corners with eight equivalent O(1)Nd4 tetrahedra, edges with two equivalent H(1)Nd4 tetrahedra, and edges with four equivalent O(1)Nd4 tetrahedra. O(1) is bonded to one Nd(1), one Nd(2), and two equivalent Nd(3) atoms to form ONd4 tetrahedra that share corners with eight equivalent H(1)Nd4 tetrahedra, corners with eight equivalent O(1)Nd4 tetrahedra, edges with two equivalent O(1)Nd4 tetrahedra, and edges with four equivalent H(1)Nd4 tetrahedra.
NdHO is Fluorite-derived structured and crystallizes in the tetragonal P4/nmm space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a body-centered cubic geometry to four equivalent H(1) and four equivalent O(1) atoms. All Nd(1)-H(1) bond lengths are 2.54 Å. All Nd(1)-O(1) bond lengths are 2.34 Å. In the second Nd site, Nd(2) is bonded in a distorted body-centered cubic geometry to four equivalent H(1) and four equivalent O(1) atoms. All Nd(2)-H(1) bond lengths are 2.47 Å. All Nd(2)-O(1) bond lengths are 2.37 Å. In the third Nd site, Nd(3) is bonded in a body-centered cubic geometry to four equivalent H(1) and four equivalent O(1) atoms. All Nd(3)-H(1) bond lengths are 2.43 Å. All Nd(3)-O(1) bond lengths are 2.40 Å. H(1) is bonded to one Nd(1), one Nd(2), and two equivalent Nd(3) atoms to form HNd4 tetrahedra that share corners with eight equivalent H(1)Nd4 tetrahedra, corners with eight equivalent O(1)Nd4 tetrahedra, edges with two equivalent H(1)Nd4 tetrahedra, and edges with four equivalent O(1)Nd4 tetrahedra. O(1) is bonded to one Nd(1), one Nd(2), and two equivalent Nd(3) atoms to form ONd4 tetrahedra that share corners with eight equivalent H(1)Nd4 tetrahedra, corners with eight equivalent O(1)Nd4 tetrahedra, edges with two equivalent O(1)Nd4 tetrahedra, and edges with four equivalent H(1)Nd4 tetrahedra.