Materials Data on K2CeI5 by Materials Project
收藏DataCite Commons2021-02-04 更新2025-04-09 收录
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https://www.osti.gov/servlets/purl/1752392/
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资源简介：
K2CeI5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of K–I bond distances ranging from 3.62–3.89 Å. Ce3+ is bonded to seven I1- atoms to form distorted edge-sharing CeI7 pentagonal bipyramids. There are a spread of Ce–I bond distances ranging from 3.20–3.29 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Ce3+ atom. In the second I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Ce3+ atoms. In the third I1- site, I1- is bonded to four equivalent K1+ and one Ce3+ atom to form a mixture of distorted edge, face, and corner-sharing IK4Ce trigonal bipyramids. In the fourth I1- site, I1- is bonded to four equivalent K1+ and one Ce3+ atom to form a mixture of distorted edge, face, and corner-sharing IK4Ce trigonal bipyramids.
提供机构：
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间：
2020-12-30
