Materials Data on CsPbF3 by Materials Project
PbCsF3 is Orthorhombic Perovskite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine equivalent F1- atoms. There are a spread of Cs–F bond distances ranging from 3.12–3.65 Å. Pb2+ is bonded to six equivalent F1- atoms to form corner-sharing PbF6 octahedra. The corner-sharing octahedral tilt angles are 19°. There are three shorter (2.41 Å) and three longer (2.54 Å) Pb–F bond lengths. F1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Pb2+ 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:
- 1195412
- Report Number(s):
- mp-20282
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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