Materials Data on NbSbO4 by Materials Project

SbNbO4 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. Nb5+ is bonded to six O2- atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are a spread of Nb–O bond distances ranging from 1.87–2.16 Å. Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. There are two shorter (2.05 Å) and two longer (2.24 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Nb5+ and two equivalent Sb3+ atoms.SbNbO4结晶于正交晶系Pnna空间群。该结构为三维框架结构。五价铌离子（Nb5+）与六个二价氧离子（O2-）成键，形成共享顶点的NbO6八面体。此类共享顶点的八面体倾斜角为38°。Nb–O键长分布范围为1.87~2.16 Å。三价锑离子（Sb3+）以畸变矩形跷跷板状配位几何与四个等价的二价氧离子成键，其Sb–O键存在两组：两条为较短键长（2.05 Å），另外两条为较长键长（2.24 Å）。体系中存在两种不等价的二价氧离子位点：在第一种氧位点中，二价氧离子以畸变150°弯曲几何与两个等价的五价铌离子成键；在第二种氧位点中，二价氧离子以畸变三角平面几何与一个五价铌离子和两个等价的三价锑离子成键。