Materials Data on KLiS by Materials Project
KLiS is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to five equivalent S2- atoms. There are four shorter (3.25 Å) and one longer (3.32 Å) K–S bond lengths. Li1+ is bonded to four equivalent S2- atoms to form a mixture of corner and edge-sharing LiS4 tetrahedra. All Li–S bond lengths are 2.54 Å. S2- is bonded in a 9-coordinate geometry to five equivalent K1+ and four equivalent Li1+ atoms.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1308099
- Report Number(s):
- mp-8430
- Country of Publication:
- United States
- Language:
- English
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