Materials Data on ThPbI6 by Materials Project
ThPbI6 crystallizes in the trigonal P-31c space group. The structure is three-dimensional. Th4+ is bonded to six equivalent I1- atoms to form ThI6 octahedra that share corners with six equivalent PbI6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Th–I bond lengths are 3.08 Å. Pb2+ is bonded to six equivalent I1- atoms to form PbI6 octahedra that share corners with six equivalent ThI6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Pb–I bond lengths are 3.27 Å. I1- is bonded in a 2-coordinate geometry to one Th4+ and one Pb2+ 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:
- 1262300
- Report Number(s):
- mp-505148
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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