Materials Data on Zn3Se by Materials Project

Zn3Se is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zn is bonded in a distorted see-saw-like geometry to four equivalent Se atoms. There are two shorter (2.94 Å) and two longer (2.98 Å) Zn–Se bond lengths. Se is bonded to twelve equivalent Zn atoms to form a mixture of face and corner-sharing SeZn12 cuboctahedra.

Zn3Se 为类β-Cu₃Ti结构，结晶于六方晶系P6₃/mmc空间群。该结构为三维骨架结构。Zn原子以畸变跷跷板型几何构型与四个等价的Se原子成键，Zn-Se键长分为两组，分别为2.94 Å（较短）与2.98 Å（较长），各含两条键。Se原子与十二个等价的Zn原子成键，形成兼具面共享与角共享特征的SeZn₁₂立方八面体结构单元。