Materials Data on Zn2SiO4 by Materials Project

Zn2SiO4 is Ilmenite-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with four equivalent ZnO6 octahedra, corners with two equivalent SiO4 tetrahedra, edges with four ZnO6 octahedra, and edges with two equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 56–64°. There are a spread of Zn–O bond distances ranging from 2.12–2.20 Å. In the second Zn2+ site, Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with eight ZnO6 octahedra, corners with four equivalent SiO4 tetrahedra, edges with two equivalent ZnO6 octahedra, and an edgeedge with one SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 51–64°. There are a spread of Zn–O bond distances ranging from 2.08–2.29 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with six ZnO6 octahedra and edges with three ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 55–62°. There are a spread of Si–O bond distances ranging from 1.64–1.68 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Zn2+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Zn2+ and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Zn2+ and one Si4+ atom.

硅酸锌(II)（Zn₂SiO₄）具有类钛铁矿（Ilmenite-like）结构，结晶于正交晶系Pnma空间群。该结构为三维框架结构，存在两个不等价的Zn²+位点。在第一个Zn²+位点中，Zn²+与六个O²-原子配位形成ZnO₆八面体，该八面体与四个等价的ZnO₆八面体共享顶点、与两个等价的SiO₄四面体共享顶点，同时与四个ZnO₆八面体共享棱边、与两个等价的SiO₄四面体共享棱边。顶点共享八面体的倾斜角范围为56°~64°，Zn–O键长分布区间为2.12~2.20 Å。在第二个Zn²+位点中，Zn²+与六个O²-原子配位形成ZnO₆八面体，该八面体与八个ZnO₆八面体共享顶点、与四个等价的SiO₄四面体共享顶点，同时与两个等价的ZnO₆八面体共享棱边、与一个SiO₄四面体共享棱边。顶点共享八面体的倾斜角范围为51°~64°，Zn–O键长分布区间为2.08~2.29 Å。Si⁴+与四个O²-原子配位形成SiO₄四面体，该四面体与六个ZnO₆八面体共享顶点、与三个ZnO₆八面体共享棱边。顶点共享八面体的倾斜角范围为55°~62°，Si–O键长分布区间为1.64~1.68 Å。体系中存在三个不等价的O²-位点。在第一个O²-位点中，O²-为四配位构型，与三个Zn²+和一个Si⁴+原子配位。在第二个O²-位点中，O²-采取畸变矩形跷跷板型配位几何构型，与三个Zn²+和一个Si⁴+原子配位。在第三个O²-位点中，O²-同样采取畸变矩形跷跷板型配位几何构型，与三个Zn²+和一个Si⁴+原子配位。