Materials Data on SiO2 by Materials Project

SiO2 is Anatase-like structured and crystallizes in the cubic I432 space group. The structure is three-dimensional. Si4+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There is two shorter (1.67 Å) and two longer (1.85 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Si4+ atoms.

二氧化硅（SiO₂）具有类锐钛矿结构，结晶于立方晶系I432空间群。该结构为三维骨架结构。四价硅离子（Si⁴+）以矩形跷跷板型配位几何与四个二价氧离子（O²-）配位成键，Si—O键存在两组不等长键：两条键的键长为1.67 Å（较短），另外两条键的键长为1.85 Å（较长）。体系存在两类不等价的二价氧离子位点：在第一类氧离子位点中，二价氧离子以150°弯折配位几何与两个等价的四价硅离子成键；在第二类氧离子位点中，二价氧离子以120°弯折配位几何与两个等价的四价硅离子成键。