Materials Data on NdMnO3 by Materials Project

NdMnO3 is Orthorhombic Perovskite structured and 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 2.36–2.84 Å. There are two inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 30–31°. There are a spread of Mn–O bond distances ranging from 1.97–2.09 Å. In the second Mn3+ site, Mn3+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 28–31°. There are a spread of Mn–O bond distances ranging from 2.02–2.13 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Nd3+ and two Mn3+ atoms to form distorted corner-sharing ONd2Mn2 tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Nd3+ and two equivalent Mn3+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Nd3+ and two equivalent Mn3+ atoms.