Materials Data on KNb3O8 by Materials Project

Kristin Persson
KNb3O8 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K1+ is bonded to six O2- atoms to form distorted face-sharing KO6 pentagonal pyramids. There are four shorter (2.80 Å) and two longer (2.96 Å) K–O bond lengths. There are two inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.84–2.35 Å. In...
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