Materials Data on CaUI6 by Materials Project
收藏DataCite Commons2021-02-04 更新2025-04-09 收录
下载链接：
https://www.osti.gov/servlets/purl/1757490/
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资源简介：
CaUI6 is Upper Bainite-derived structured and crystallizes in the trigonal P-31c space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent I1- atoms to form CaI6 octahedra that share corners with six equivalent UI6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Ca–I bond lengths are 3.17 Å. U4+ is bonded to six equivalent I1- atoms to form UI6 octahedra that share corners with six equivalent CaI6 octahedra. The corner-sharing octahedral tilt angles are 48°. All U–I bond lengths are 3.02 Å. I1- is bonded in a distorted bent 120 degrees geometry to one Ca2+ and one U4+ atom.
提供机构：
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间：
2021-01-15
