Materials Data on CsLiBeF4 by Materials Project
CsLiBeF4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to eleven F1- atoms. There are a spread of Cs–F bond distances ranging from 3.03–3.68 Å. Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with four equivalent BeF4 tetrahedra. There are a spread of Li–F bond distances ranging from 1.88–1.90 Å. Be2+ is bonded to four F1- atoms to form BeF4 tetrahedra that share corners with four equivalent LiF4 tetrahedra. There is one shorter (1.56 Å) and three longer (1.57 Å) Be–F bond length. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Cs1+, one Li1+, and one Be2+ atom. In the second F1- site, F1- is bonded in a linear geometry to three equivalent Cs1+, one Li1+, and one Be2+ atom. In the third F1- site, F1- is bonded in a 2-coordinate geometry to three equivalent Cs1+, one Li1+, and one Be2+ atom. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to three equivalent Cs1+, one Li1+, and one Be2+ atom.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1193354
- Report Number(s):
- mp-18704
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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