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Title: Materials Data on InAsPd5 by Materials Project

Abstract

Pd5InAs crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded to eight equivalent Pd and four equivalent In atoms to form distorted PdIn4Pd8 cuboctahedra that share corners with four equivalent PdIn4Pd8 cuboctahedra, faces with four equivalent PdIn4Pd8 cuboctahedra, and faces with four equivalent InPd12 cuboctahedra. All Pd–Pd bond lengths are 2.88 Å. All Pd–In bond lengths are 2.87 Å. In the second Pd site, Pd is bonded in a 4-coordinate geometry to seven Pd, two equivalent In, and two equivalent As atoms. There are four shorter (2.87 Å) and one longer (3.00 Å) Pd–Pd bond lengths. Both Pd–In bond lengths are 2.88 Å. Both Pd–As bond lengths are 2.52 Å. In is bonded to twelve Pd atoms to form InPd12 cuboctahedra that share corners with four equivalent InPd12 cuboctahedra, faces with four equivalent PdIn4Pd8 cuboctahedra, and faces with four equivalent InPd12 cuboctahedra. As is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.

Authors:
Publication Date:
Other Number(s):
mp-1025293
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; InAsPd5; As-In-Pd
OSTI Identifier:
1355484
DOI:
https://doi.org/10.17188/1355484

Citation Formats

The Materials Project. Materials Data on InAsPd5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1355484.
The Materials Project. Materials Data on InAsPd5 by Materials Project. United States. doi:https://doi.org/10.17188/1355484
The Materials Project. 2020. "Materials Data on InAsPd5 by Materials Project". United States. doi:https://doi.org/10.17188/1355484. https://www.osti.gov/servlets/purl/1355484. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1355484,
title = {Materials Data on InAsPd5 by Materials Project},
author = {The Materials Project},
abstractNote = {Pd5InAs crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded to eight equivalent Pd and four equivalent In atoms to form distorted PdIn4Pd8 cuboctahedra that share corners with four equivalent PdIn4Pd8 cuboctahedra, faces with four equivalent PdIn4Pd8 cuboctahedra, and faces with four equivalent InPd12 cuboctahedra. All Pd–Pd bond lengths are 2.88 Å. All Pd–In bond lengths are 2.87 Å. In the second Pd site, Pd is bonded in a 4-coordinate geometry to seven Pd, two equivalent In, and two equivalent As atoms. There are four shorter (2.87 Å) and one longer (3.00 Å) Pd–Pd bond lengths. Both Pd–In bond lengths are 2.88 Å. Both Pd–As bond lengths are 2.52 Å. In is bonded to twelve Pd atoms to form InPd12 cuboctahedra that share corners with four equivalent InPd12 cuboctahedra, faces with four equivalent PdIn4Pd8 cuboctahedra, and faces with four equivalent InPd12 cuboctahedra. As is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.},
doi = {10.17188/1355484},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}