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Title: Materials Data on Al21Pd8 by Materials Project

Abstract

Al21Pd8 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Pd–Al bond distances ranging from 2.58–2.76 Å. In the second Pd site, Pd is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Pd–Al bond distances ranging from 2.55–3.10 Å. There are six inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Pd atoms to form distorted corner-sharing AlPd4 tetrahedra. In the second Al site, Al is bonded in a 3-coordinate geometry to three Pd atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to four Pd atoms. In the fourth Al site, Al is bonded in a 4-coordinate geometry to four Pd atoms. In the fifth Al site, Al is bonded to four Pd atoms to form a mixture of distorted corner and edge-sharing AlPd4 tetrahedra. In the sixth Al site, Al is bonded in a 4-coordinate geometry to four Pd atoms.

Publication Date:
Other Number(s):
mp-1498
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; Al21Pd8; Al-Pd
OSTI Identifier:
1190981
DOI:
https://doi.org/10.17188/1190981

Citation Formats

The Materials Project. Materials Data on Al21Pd8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1190981.
The Materials Project. Materials Data on Al21Pd8 by Materials Project. United States. doi:https://doi.org/10.17188/1190981
The Materials Project. 2020. "Materials Data on Al21Pd8 by Materials Project". United States. doi:https://doi.org/10.17188/1190981. https://www.osti.gov/servlets/purl/1190981. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1190981,
title = {Materials Data on Al21Pd8 by Materials Project},
author = {The Materials Project},
abstractNote = {Al21Pd8 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Pd–Al bond distances ranging from 2.58–2.76 Å. In the second Pd site, Pd is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Pd–Al bond distances ranging from 2.55–3.10 Å. There are six inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Pd atoms to form distorted corner-sharing AlPd4 tetrahedra. In the second Al site, Al is bonded in a 3-coordinate geometry to three Pd atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to four Pd atoms. In the fourth Al site, Al is bonded in a 4-coordinate geometry to four Pd atoms. In the fifth Al site, Al is bonded to four Pd atoms to form a mixture of distorted corner and edge-sharing AlPd4 tetrahedra. In the sixth Al site, Al is bonded in a 4-coordinate geometry to four Pd atoms.},
doi = {10.17188/1190981},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}