Materials Data on Zr3N4 by Materials Project
收藏Mendeley Data2024-01-31 更新2024-06-28 收录
下载链接：
https://www.osti.gov/servlets/purl/1289404/
下载链接
链接失效反馈官方服务：
资源简介：
Zr3N4 is Hausmannite structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded to six equivalent N3- atoms to form ZrN6 octahedra that share corners with six equivalent ZrN4 tetrahedra and edges with six equivalent ZrN6 octahedra. All Zr–N bond lengths are 2.23 Å. In the second Zr4+ site, Zr4+ is bonded to four equivalent N3- atoms to form corner-sharing ZrN4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. All Zr–N bond lengths are 2.12 Å. N3- is bonded in a distorted rectangular see-saw-like geometry to four Zr4+ atoms.
创建时间：
2024-01-31
