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Title: Materials Data on Ba(AsPd)2 by Materials Project

Abstract

BaPd2As2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Ba–As bond lengths are 3.49 Å. Pd2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent As3- atoms. All Pd–As bond lengths are 2.59 Å. As3- is bonded in a 10-coordinate geometry to four equivalent Ba2+, four equivalent Pd2+, and two equivalent As3- atoms. There are one shorter (2.70 Å) and one longer (3.10 Å) As–As bond lengths.

Publication Date:
Other Number(s):
mp-8237
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; Ba(AsPd)2; As-Ba-Pd
OSTI Identifier:
1307985
DOI:
https://doi.org/10.17188/1307985

Citation Formats

The Materials Project. Materials Data on Ba(AsPd)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1307985.
The Materials Project. Materials Data on Ba(AsPd)2 by Materials Project. United States. doi:https://doi.org/10.17188/1307985
The Materials Project. 2020. "Materials Data on Ba(AsPd)2 by Materials Project". United States. doi:https://doi.org/10.17188/1307985. https://www.osti.gov/servlets/purl/1307985. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1307985,
title = {Materials Data on Ba(AsPd)2 by Materials Project},
author = {The Materials Project},
abstractNote = {BaPd2As2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Ba–As bond lengths are 3.49 Å. Pd2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent As3- atoms. All Pd–As bond lengths are 2.59 Å. As3- is bonded in a 10-coordinate geometry to four equivalent Ba2+, four equivalent Pd2+, and two equivalent As3- atoms. There are one shorter (2.70 Å) and one longer (3.10 Å) As–As bond lengths.},
doi = {10.17188/1307985},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}