Materials Data on Ca2CoN2 by Materials Project

Ca2CoN2 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. Ca2+ is bonded in a rectangular see-saw-like geometry to four equivalent N3- atoms. There are a spread of Ca–N bond distances ranging from 2.44–2.46 Å. Co2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Co–N bond lengths are 1.73 Å. N3- is bonded to four equivalent Ca2+ and one Co2+ atom to form a mixture of edge and corner-sharing NCa4Co trigonal bipyramids.

Ca₂CoN₂结晶于四方晶系P4/ncc空间群。该晶体为三维结构。Ca²+以矩形跷跷板状配位几何与四个等价的N³-成键，Ca-N键距分布范围为2.44~2.46 Å。Co²+以直线型配位几何与两个等价的N³-成键，Co-N键长均为1.73 Å。N³-与四个等价的Ca²+及一个Co²+成键，形成兼具边共享与角共享特征的NCa₄Co三角双锥结构单元。