Materials Data on NdBiO4 by Materials Project
NdBiO4 crystallizes in the monoclinic C2/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 2.39–2.65 Å. Bi5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.07–2.37 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Nd3+ and one Bi5+ atom. In the second O2- site, O2- is bonded to two equivalent Nd3+ and two equivalent Bi5+ atoms to form a mixture of distorted edge and corner-sharing ONd2Bi2 tetrahedra.
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