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Title: Materials Data on BaBPd4 by Materials Project

Abstract

BaPd4B crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba is bonded in a 7-coordinate geometry to seven Pd atoms. There are a spread of Ba–Pd bond distances ranging from 3.13–3.42 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 1-coordinate geometry to two equivalent Ba and one B atom. The Pd–B bond length is 2.19 Å. In the second Pd site, Pd is bonded in a 1-coordinate geometry to three equivalent Ba and one B atom. The Pd–B bond length is 2.11 Å. In the third Pd site, Pd is bonded in a 2-coordinate geometry to one Ba and two equivalent B atoms. There are one shorter (2.19 Å) and one longer (2.22 Å) Pd–B bond lengths. B is bonded in a 6-coordinate geometry to six Pd atoms.

Authors:
Publication Date:
Other Number(s):
mp-1191182
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; BaBPd4; B-Ba-Pd
OSTI Identifier:
1688944
DOI:
https://doi.org/10.17188/1688944

Citation Formats

The Materials Project. Materials Data on BaBPd4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1688944.
The Materials Project. Materials Data on BaBPd4 by Materials Project. United States. doi:https://doi.org/10.17188/1688944
The Materials Project. 2019. "Materials Data on BaBPd4 by Materials Project". United States. doi:https://doi.org/10.17188/1688944. https://www.osti.gov/servlets/purl/1688944. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1688944,
title = {Materials Data on BaBPd4 by Materials Project},
author = {The Materials Project},
abstractNote = {BaPd4B crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba is bonded in a 7-coordinate geometry to seven Pd atoms. There are a spread of Ba–Pd bond distances ranging from 3.13–3.42 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 1-coordinate geometry to two equivalent Ba and one B atom. The Pd–B bond length is 2.19 Å. In the second Pd site, Pd is bonded in a 1-coordinate geometry to three equivalent Ba and one B atom. The Pd–B bond length is 2.11 Å. In the third Pd site, Pd is bonded in a 2-coordinate geometry to one Ba and two equivalent B atoms. There are one shorter (2.19 Å) and one longer (2.22 Å) Pd–B bond lengths. B is bonded in a 6-coordinate geometry to six Pd atoms.},
doi = {10.17188/1688944},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}