Materials Data on NdSbO4 by Materials Project

NdSbO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.33–2.91 Å. Sb5+ is bonded to six O2- atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 36–45°. There are a spread of Sb–O bond distances ranging from 1.97–2.06 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Nd3+ and one Sb5+ atom to form a mixture of distorted corner and edge-sharing ONd3Sb tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Nd3+ and two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Nd3+ and one Sb5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Nd3+ and two equivalent Sb5+ atoms.