Materials Data on NdMoO5 by Materials Project
NdMoO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Nd–O bond distances ranging from 2.37–2.57 Å. Mo is bonded in a distorted tetrahedral geometry to five O atoms. There are a spread of Mo–O bond distances ranging from 1.77–2.50 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent Nd and one Mo atom. In the second O site, O is bonded in a distorted trigonal planar geometry to two equivalent Nd and one Mo atom. In the third O site, O is bonded in a distorted trigonal planar geometry to two equivalent Nd and one Mo atom. In the fourth O site, O is bonded in a distorted linear geometry to one Nd and one Mo atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Nd and one Mo atom.