Materials Data on Y2ZnS4 by Materials Project

Y2ZnS4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Y3+ is bonded to six equivalent S2- atoms to form YS6 octahedra that share corners with six equivalent ZnS4 tetrahedra and edges with six equivalent YS6 octahedra. All Y–S bond lengths are 2.74 Å. Zn2+ is bonded to four equivalent S2- atoms to form ZnS4 tetrahedra that share corners with twelve equivalent YS6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Zn–S bond lengths are 2.42 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Y3+ and one Zn2+ atom.

Y₂ZnS₄ 具有尖晶石（Spinel）结构，结晶于立方晶系Fd-3m空间群。其晶体结构为三维框架结构。Y³+ 与六个等价的S²-原子成键，形成YS₆八面体（YS₆ octahedra）；该八面体与六个等价的ZnS₄四面体（ZnS₄ tetrahedra）共享顶点，同时与六个等价的YS₆八面体共享棱边，所有Y—S键的键长均为2.74 Å。Zn²+ 与四个等价的S²-原子成键，形成ZnS₄四面体；该四面体与十二个等价的YS₆八面体共享顶点，共顶点八面体的倾斜角为55°，所有Zn—S键的键长均为2.42 Å。S²- 以畸变的矩形跷跷板状几何构型，与三个等价的Y³+和一个Zn²+原子成键。

搜集汇总

背景与挑战

背景概述

该数据集提供了Y2ZnS4材料的晶体结构数据，显示其具有尖晶石结构，属于立方Fd-3m空间群。结构为三维网络，其中Y3+与S2-形成YS6八面体，Zn2+与S2-形成ZnS4四面体，并包含具体的键长和几何构型信息。