Materials Data on KLi2(HO)3 by Materials Project
KLi2HO3H2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional and consists of two dihydrogen molecules and one KLi2HO3 framework. In the KLi2HO3 framework, K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.55–3.05 Å. Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.88–2.03 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one K1+, two equivalent Li1+, and one O2- atom. The O–O bond length is 1.53 Å. In the second O2- site, O2- is bonded in a 6-coordinate geometry to three equivalent K1+, two equivalent Li1+, and one O2- atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Li1+ and one H1+ 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:
- 1199820
- Report Number(s):
- mp-23945
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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