Materials Data on NbNi3(PO4)4 by Materials Project

Kristin Persson
NbNi3(PO4)4 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. Nb5+ is bonded to six O2- atoms to form distorted NbO6 pentagonal pyramids that share corners with four equivalent NiO6 octahedra, corners with four PO4 tetrahedra, and an edgeedge with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 48–49°. There are a spread of Nb–O bond distances ranging from 1.90–2.10 Å. There are three inequivalent Ni+2.33+ sites. In the first Ni+2.33+...
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