Materials Data on CrAgSe2 by Materials Project
收藏DataCite Commons2024-11-06 更新2025-04-09 收录
下载链接：
https://www.osti.gov/servlets/purl/1275871/
下载链接
链接失效反馈官方服务：
资源简介：
AgCrSe2 is Ilmenite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Cr3+ is bonded to six Se2- atoms to form distorted edge-sharing CrSe6 pentagonal pyramids. There are three shorter (2.53 Å) and three longer (2.62 Å) Cr–Se bond lengths. Ag1+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are one shorter (2.57 Å) and three longer (2.87 Å) Ag–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr3+ and one Ag1+ atom. In the second Se2- site, Se2- is bonded to three equivalent Cr3+ and three equivalent Ag1+ atoms to form distorted edge-sharing SeCr3Ag3 octahedra.
提供机构：
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间：
2016-07-30
