Materials Data on CsPrS2 by Materials Project
CsPrS2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. All Cs–S bond lengths are 3.53 Å. Pr3+ is bonded to six equivalent S2- atoms to form edge-sharing PrS6 octahedra. All Pr–S bond lengths are 2.90 Å. S2- is bonded to three equivalent Cs1+ and three equivalent Pr3+ atoms to form a mixture of distorted edge, corner, and face-sharing SCs3Pr3 octahedra. The corner-sharing octahedra tilt angles range from 0–41°.
- 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:
- 1312933
- Report Number(s):
- mp-9037
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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