Materials Data on V2O3 by Materials Project

V2O3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. V3+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing VO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.81–2.15 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to four equivalent V3+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent V3+ atoms.

三氧化二钒（V₂O₃）结晶于单斜晶系C2/c空间群。其结构为三维结构。三价钒离子（V³⁺）与五个二价氧离子（O²⁻）配位，形成兼具畸变共角与共边连接的VO₅三角双锥配位多面体。V-O键的键长分布范围为1.81~2.15 Å。体系中存在两个不等价的O²⁻位点：在第一类O²⁻位点中，O²⁻以矩形跷跷板型配位几何与四个等价的V³⁺离子相连；在第二类O²⁻位点中，O²⁻以直线型配位几何与两个等价的V³⁺离子相连。

搜集汇总

背景与挑战

背景概述

该数据集详细记录了V2O3的晶体结构信息，包括其单斜C2/c空间群的三维结构、V3+与O2-形成的扭曲三角双锥体键合方式，以及两种不等价O2-位点的几何构型和键长范围。