Materials Data on Sb2O3 by Materials Project

Sb2O3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are four inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to three O2- atoms. There are two shorter (2.01 Å) and one longer (2.04 Å) Sb–O bond lengths. In the second Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are two shorter (2.01 Å) and one longer (2.05 Å) Sb–O bond lengths. In the third Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.01–2.67 Å. In the fourth Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.00–2.71 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Sb3+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Sb3+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two Sb3+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to three Sb3+ atoms. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ atoms.

搜集汇总

背景与挑战

背景概述

该数据集来自Materials Project，提供了Sb2O3的详细晶体结构数据。数据集显示Sb2O3结晶为正交晶系P2_12_12_1空间群，具有三维结构，包含四个不等效的Sb3+位点和六个不等效的O2-位点，其中Sb–O键长在2.00 Å到2.71 Å之间变化，并描述了各原子的配位几何形状。这些信息有助于理解Sb2O3的原子级结构和化学键合特性。