Materials Data on NdAl3(PbO4)2 by Materials Project
NdAl3(PbO4)2 is Esseneite-like structured and crystallizes in the cubic Pn-3m space group. The structure is three-dimensional. Nd3+ is bonded to eight O2- atoms to form NdO8 hexagonal bipyramids that share edges with six equivalent AlO4 tetrahedra. There are two shorter (2.35 Å) and six longer (2.61 Å) Nd–O bond lengths. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra and edges with two equivalent NdO8 hexagonal bipyramids. All Al–O bond lengths are 1.76 Å. Pb2+ is bonded in a 6-coordinate geometry to three equivalent O2- atoms. All Pb–O bond lengths are 2.35 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Nd3+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded to one Nd3+ and three equivalent Pb2+ atoms to form a mixture of distorted edge and corner-sharing ONdPb3 tetrahedra.