Materials Data on Na2Nb3O6 by Materials Project

Na2Nb3O6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Na1+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Na–O bond lengths are 2.31 Å. Nb+3.33+ is bonded to six equivalent O2- atoms to form a mixture of distorted corner and edge-sharing NbO6 pentagonal pyramids. There are a spread of Nb–O bond distances ranging from 2.06–2.30 Å. O2- is bonded in a distorted rectangular see-saw-like geometry to one Na1+ and three equivalent Nb+3.33+ atoms.

六氧三铌化二钠（Na₂Nb₃O₆）结晶于三方晶系R-3c空间群。该晶体结构为三维结构。钠离子（Na¹⁺）以三配位几何构型与三个等价的氧离子（O²⁻）成键，所有Na-O键长均为2.31埃（Å）。铌离子（Nb^(+3.33)）与六个等价的氧离子成键，形成兼具畸变共顶点与共边特征的NbO₆五角锥结构单元，其Nb-O键长分布区间为2.06~2.30埃。氧离子（O²⁻）以畸变矩形跷跷板型几何构型与一个钠离子及三个等价的铌离子成键。