Materials Data on LiCaAl3 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/1751423/
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资源简介：
LiCaAl3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Li is bonded in a distorted trigonal planar geometry to three Al atoms. There are two shorter (2.42 Å) and one longer (2.43 Å) Li–Al bond lengths. Ca is bonded in a 12-coordinate geometry to twelve Al atoms. There are a spread of Ca–Al bond distances ranging from 3.06–3.61 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a distorted single-bond geometry to one Li and four equivalent Ca atoms. In the second Al site, Al is bonded in a distorted single-bond geometry to one Li and four equivalent Ca atoms. In the third Al site, Al is bonded in a distorted single-bond geometry to one Li and four equivalent Ca atoms.
提供机构：
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间：
2020-12-30
