Materials Data on Ca(CoN)2 by Materials Project

Ca(CoN)2 crystallizes in the tetragonal P-4m2 space group. The structure is two-dimensional and consists of one Ca(CoN)2 sheet oriented in the (0, 0, 1) direction. Ca2+ is bonded to four equivalent N3- atoms to form distorted corner-sharing CaN4 tetrahedra. All Ca–N bond lengths are 2.43 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 in a rectangular see-saw-like geometry to two equivalent Ca2+ and two equivalent Co2+ atoms.

Ca(CoN)₂结晶于四方晶系P-4m2空间群。该结构为二维结构，包含1个沿(0, 0, 1)方向取向的Ca(CoN)₂片层。Ca²⁺与4个等价的N³⁻原子成键，形成畸变的共角CaN₄四面体。所有Ca–N键长均为2.43 Å。Co²⁺以直线型配位几何与2个等价的N³⁻原子成键，两条Co–N键长均为1.73 Å。N³⁻以矩形跷跷板型配位几何分别与2个等价的Ca²⁺和2个等价的Co²⁺原子成键。

搜集汇总

背景与挑战

背景概述

该数据集提供了Ca(CoN)2材料的晶体结构数据，其结晶为四方P-4m2空间群，具有二维层状结构。原子键合特征包括：Ca2+形成扭曲的CaN4四面体（键长2.43 Å），Co2+以线性构型键合（键长1.73 Å），N3-则与Ca和Co原子形成矩形翘翘板状配位，这些信息共同描述了材料的原子级几何构型。