Materials Data on LiPrS2 by Materials Project
LiPrS2 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of two LiPrS2 sheets oriented in the (0, 0, 1) direction. Li1+ is bonded in a rectangular see-saw-like geometry to four S2- atoms. There are a spread of Li–S bond distances ranging from 2.79–2.89 Å. Pr3+ is bonded in a rectangular see-saw-like geometry to four S2- atoms. There are a spread of Pr–S bond distances ranging from 2.82–2.87 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li1+ and two equivalent Pr3+ atoms. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li1+ and two equivalent Pr3+ atoms.
- 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:
- 1282694
- Report Number(s):
- mp-675419
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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