Materials Data on LiSO3F by Materials Project
LiSO3F crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one LiSO3F sheet oriented in the (0, 0, 1) direction. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four equivalent SO3F tetrahedra and an edgeedge with one LiO4 tetrahedra. There is two shorter (1.94 Å) and two longer (2.03 Å) Li–O bond length. S6+ is bonded to three O2- and one F1- atom to form SO3F tetrahedra that share corners with four equivalent LiO4 tetrahedra. There is two shorter (1.44 Å) and one longer (1.47 Å) S–O bond length. The S–F bond length is 1.60 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one S6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one S6+ atom. F1- is bonded in a single-bond geometry to one S6+ 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:
- 1302560
- Report Number(s):
- mp-7744
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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