Materials Data on CaBO3 by Materials Project
收藏DataCite Commons2021-02-05 更新2025-04-09 收录
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https://www.osti.gov/servlets/purl/1759635/
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资源简介：
CaBO3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ca is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Ca–O bond distances ranging from 2.34–2.62 Å. B is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.36 Å) and two longer (1.37 Å) B–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one Ca and one B atom. In the second O site, O is bonded in a 1-coordinate geometry to three equivalent Ca and one B atom.
提供机构：
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间：
2021-01-16
