Materials Data on SiO2 by Materials Project

SiO2 crystallizes in the orthorhombic Pban space group. The structure is three-dimensional. Si4+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.64–1.73 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in an L-shaped geometry to two equivalent Si4+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms.

二氧化硅（SiO₂）结晶于正交晶系（orthorhombic）Pban空间群，整体为三维结构。四价硅离子（Si4+）以畸变跷跷板构型与四个二价氧离子（O2-）配位成键，Si—O键的键长分布范围为1.64~1.73埃（Å）。体系中存在四个不等价的二价氧离子位点：在第一个氧位点中，O2-以畸变直线型构型与两个等价的Si4+成键；在第二个氧位点中，O2-以直线型构型与两个等价的Si4+成键；在第三个氧位点中，O2-以L型构型与两个等价的Si4+成键；在第四个氧位点中，O2-以150°弯曲型构型与两个等价的Si4+成键。

搜集汇总

背景与挑战

背景概述

该数据集提供了SiO2的晶体学数据，包括其正交晶系Pban空间群结构、Si4+与O2-的键合几何构型及键长范围（1.64–1.73 Å），详细描述了四种不等价O2-位点的键合方式。