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Title: 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.

Authors:
Publication Date:
Other Number(s):
mp-28983
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Pd(PbBr3)2; Br-Pb-Pd
OSTI Identifier:
1203038
DOI:
https://doi.org/10.17188/1203038

Citation Formats

The Materials Project. Materials Data on Pd(PbBr3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203038.
The Materials Project. Materials Data on Pd(PbBr3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1203038
The Materials Project. 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},
author = {The 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}
}