Materials Data on PdS by Materials Project

PdS crystallizes in the tetragonal P4_2/m space group. The structure is three-dimensional. there are three inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a rectangular see-saw-like geometry to four equivalent S2- atoms. There are two shorter (2.37 Å) and two longer (2.38 Å) Pd–S bond lengths. In the second Pd2+ site, Pd2+ is bonded in a rectangular see-saw-like geometry to four equivalent S2- atoms. All Pd–S bond lengths are 2.37 Å. In the third Pd2+ site, Pd2+ is bonded in a distorted square co-planar geometry to four equivalent S2- atoms. All Pd–S bond lengths are 2.34 Å. S2- is bonded to four Pd2+ atoms to form a mixture of distorted corner and edge-sharing SPd4 trigonal pyramids.

硫化钯(PdS)结晶于四方晶系P4₂/m空间群，其晶体结构为三维框架结构。体系内存在三个不等价的Pd²+配位位点：在第一个Pd²+位点中，Pd²+以矩形跷跷板型配位几何与四个等价的S²-原子成键，Pd–S键长分为两组，两个较短键长为2.37 Å，两个较长键长为2.38 Å；在第二个Pd²+位点中，Pd²+同样以矩形跷跷板型配位几何与四个等价的S²-原子成键，所有Pd–S键长均为2.37 Å；在第三个Pd²+位点中，Pd²+以畸变正方形平面配位几何与四个等价的S²-原子成键，所有Pd–S键长均为2.34 Å。S²-与四个Pd²+原子相连，形成兼具角共享与边共享特征的SPd₄三角锥结构单元。