Materials Data on ZnS by Materials Project

ZnS is Moissanite-6H-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are three inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. There are one shorter (2.34 Å) and three longer (2.37 Å) Zn–S bond lengths. In the second Zn2+ site, Zn2+ is bonded to four equivalent S2- atoms to form corner-sharing ZnS4 tetrahedra. There are one shorter (2.34 Å) and three longer (2.37 Å) Zn–S bond lengths. In the third Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. There are one shorter (2.35 Å) and three longer (2.37 Å) Zn–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. There are one shorter (2.34 Å) and three longer (2.37 Å) S–Zn bond lengths. In the second S2- site, S2- is bonded to four equivalent Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the third S2- site, S2- is bonded to four equivalent Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the fourth S2- site, S2- is bonded to four equivalent Zn2+ atoms to form corner-sharing SZn4 tetrahedra. There are one shorter (2.34 Å) and three longer (2.37 Å) S–Zn bond lengths.

硫化锌（ZnS）具有类6H型莫桑石（Moissanite-6H）的晶体结构，结晶于三方晶系R3m空间群（trigonal R3m space group）。该结构为三维结构。体系中存在三个不等价的Zn²+位点：在第一个Zn²+位点中，Zn²+与四个S²-原子成键，形成共顶共享的ZnS₄四面体，其Zn–S键长包含一个较短键长（2.34 Å）与三个较长键长（2.37 Å）；在第二个Zn²+位点中，Zn²+与四个等价的S²-原子成键，形成共顶共享的ZnS₄四面体，Zn–S键长同样为一个2.34 Å的短键与三个2.37 Å的长键；在第三个Zn²+位点中，Zn²+与四个S²-原子成键，形成共顶共享的ZnS₄四面体，其Zn–S键长为一个2.35 Å的短键与三个2.37 Å的长键。体系中另有四个不等价的S²-位点：在第一个S²-位点中，S²-与四个Zn²+原子成键，形成共顶共享的SZn₄四面体，S–Zn键长包含一个较短键长（2.34 Å）与三个较长键长（2.37 Å）；在第二个S²-位点中，S²-与四个等价的Zn²+原子成键，形成共顶共享的SZn₄四面体；在第三个S²-位点中，S²-与四个等价的Zn²+原子成键，形成共顶共享的SZn₄四面体；在第四个S²-位点中，S²-与四个等价的Zn²+原子成键，形成共顶共享的SZn₄四面体，其S–Zn键长包含一个较短键长（2.34 Å）与三个较长键长（2.37 Å）。

搜集汇总

背景与挑战

背景概述

该数据集提供了硫化锌（ZnS）的详细材料数据，来自Materials Project。数据集描述ZnS为Moissanite-6H类似结构，属于三方晶系R3m空间群，具有三维晶体结构，包含三个不等价Zn2+位点和四个不等价S2-位点，均通过角共享四面体连接，并给出了具体的键长信息。