U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Pd(PbBr3)2 by Materials Project
Abstract
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.
- Publication Date:
- Other Number(s):
- mp-28983
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Br-Pb-Pd; Pd(PbBr3)2; crystal structure
- OSTI Identifier:
- 1203038
- DOI:
- https://doi.org/10.17188/1203038
Citation Formats
Materials Data on Pd(PbBr3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1203038.
Materials Data on Pd(PbBr3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1203038
2020.
"Materials Data on Pd(PbBr3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1203038. https://www.osti.gov/servlets/purl/1203038. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1203038,
title = {Materials Data on Pd(PbBr3)2 by Materials Project},
abstractNote = {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.},
doi = {10.17188/1203038},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}