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Title: Materials Data on BaGe3Pd by Materials Project

Abstract

BaPdGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to five equivalent Pd and twelve Ge atoms. There are four shorter (3.61 Å) and one longer (3.76 Å) Ba–Pd bond lengths. There are a spread of Ba–Ge bond distances ranging from 3.43–3.54 Å. Pd is bonded in a 5-coordinate geometry to five equivalent Ba and five Ge atoms. There are four shorter (2.56 Å) and one longer (2.63 Å) Pd–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Ba, two equivalent Pd, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.78 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent Ba, one Pd, and four equivalent Ge atoms.

Authors:
Publication Date:
Other Number(s):
mp-1068447
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; BaGe3Pd; Ba-Ge-Pd
OSTI Identifier:
1741797
DOI:
https://doi.org/10.17188/1741797

Citation Formats

The Materials Project. Materials Data on BaGe3Pd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1741797.
The Materials Project. Materials Data on BaGe3Pd by Materials Project. United States. doi:https://doi.org/10.17188/1741797
The Materials Project. 2020. "Materials Data on BaGe3Pd by Materials Project". United States. doi:https://doi.org/10.17188/1741797. https://www.osti.gov/servlets/purl/1741797. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1741797,
title = {Materials Data on BaGe3Pd by Materials Project},
author = {The Materials Project},
abstractNote = {BaPdGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to five equivalent Pd and twelve Ge atoms. There are four shorter (3.61 Å) and one longer (3.76 Å) Ba–Pd bond lengths. There are a spread of Ba–Ge bond distances ranging from 3.43–3.54 Å. Pd is bonded in a 5-coordinate geometry to five equivalent Ba and five Ge atoms. There are four shorter (2.56 Å) and one longer (2.63 Å) Pd–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Ba, two equivalent Pd, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.78 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent Ba, one Pd, and four equivalent Ge atoms.},
doi = {10.17188/1741797},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}