Materials Data on Pd(PbBr3)2 by Materials Project
Pd(PbBr3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pd2+ is bonded to six Br1- atoms to form distorted corner-sharing PdBr6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are a spread of Pd–Br bond distances ranging from 2.47–3.35 Å. Pb2+ is bonded in a 7-coordinate geometry to seven Br1- atoms. There are a spread of Pb–Br bond distances ranging from 3.01–3.40 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to three equivalent Pb2+ atoms. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to two equivalent Pd2+ and two equivalent Pb2+ atoms. In the third Br1- site, Br1- is bonded in a 1-coordinate geometry to one Pd2+ 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:
- 1203038
- Report Number(s):
- mp-28983
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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