Materials Data on ZnS by Materials Project

ZnS is Moissanite 9R-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two 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 (2.35 Å) and three longer (2.37 Å) Zn–S bond lengths. In the second 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 equivalent Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the second S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. The S–Zn bond length is 2.34 Å. In the third S2- site, S2- is bonded to four equivalent Zn2+ atoms to form corner-sharing SZn4 tetrahedra. There are one shorter (2.35 Å) and three longer (2.37 Å) S–Zn bond lengths. In the fourth S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra.

硫化锌（ZnS）具有类莫桑石9R（Moissanite 9R）的晶体结构，以三方晶系（trigonal）R3m空间群（space group）结晶。该晶体为三维周期性框架结构。体系内存在两个不等价的Zn²+配位位点：在第一个Zn²+位点中，Zn²+与四个S²-原子形成配位键，构成共享顶点的ZnS₄四面体，其Zn–S键长包含一组2.35 Å的短键与三组2.37 Å的长键。在第二个Zn²+位点中，Zn²+同样与四个S²-原子配位，形成共享顶点的ZnS₄四面体，Zn–S键长分布与第一个位点完全一致。体系中另有四个不等价的S²-配位位点：在第一个S²-位点中，S²-与四个等价的Zn²+原子配位，形成共享顶点的SZn₄四面体；在第二个S²-位点中，S²-与四个Zn²+原子配位，形成共享顶点的SZn₄四面体，其S–Zn键长为2.34 Å；在第三个S²-位点中，S²-与四个等价的Zn²+原子配位，形成共享顶点的SZn₄四面体，其S–Zn键长分布为一组2.35 Å的短键与三组2.37 Å的长键；在第四个S²-位点中，S²-与四个Zn²+原子配位，形成共享顶点的SZn₄四面体。