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Title: Materials Data on Bi3Pd5 by Materials Project

Abstract

Pd5Bi3 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted body-centered cubic geometry to five Pd and three equivalent Bi atoms. There are a spread of Pd–Pd bond distances ranging from 2.64–2.83 Å. All Pd–Bi bond lengths are 2.74 Å. In the second Pd site, Pd is bonded in a 6-coordinate geometry to two Pd and six Bi atoms. The Pd–Pd bond length is 2.89 Å. There are three shorter (2.85 Å) and three longer (2.95 Å) Pd–Bi bond lengths. In the third Pd site, Pd is bonded in a 12-coordinate geometry to six equivalent Pd atoms. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 6-coordinate geometry to six equivalent Pd atoms. In the second Bi site, Bi is bonded in a 6-coordinate geometry to six Pd atoms.

Publication Date:
Other Number(s):
mp-1227388
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Bi3Pd5; Bi-Pd
OSTI Identifier:
1750953
DOI:
https://doi.org/10.17188/1750953

Citation Formats

The Materials Project. Materials Data on Bi3Pd5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1750953.
The Materials Project. Materials Data on Bi3Pd5 by Materials Project. United States. doi:https://doi.org/10.17188/1750953
The Materials Project. 2020. "Materials Data on Bi3Pd5 by Materials Project". United States. doi:https://doi.org/10.17188/1750953. https://www.osti.gov/servlets/purl/1750953. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1750953,
title = {Materials Data on Bi3Pd5 by Materials Project},
author = {The Materials Project},
abstractNote = {Pd5Bi3 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted body-centered cubic geometry to five Pd and three equivalent Bi atoms. There are a spread of Pd–Pd bond distances ranging from 2.64–2.83 Å. All Pd–Bi bond lengths are 2.74 Å. In the second Pd site, Pd is bonded in a 6-coordinate geometry to two Pd and six Bi atoms. The Pd–Pd bond length is 2.89 Å. There are three shorter (2.85 Å) and three longer (2.95 Å) Pd–Bi bond lengths. In the third Pd site, Pd is bonded in a 12-coordinate geometry to six equivalent Pd atoms. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 6-coordinate geometry to six equivalent Pd atoms. In the second Bi site, Bi is bonded in a 6-coordinate geometry to six Pd atoms.},
doi = {10.17188/1750953},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}