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Title: Materials Data on Be12Pd by Materials Project

Abstract

Be12Pd crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Be sites. In the first Be site, Be is bonded to ten Be and two equivalent Pd atoms to form a mixture of face, edge, and corner-sharing BeBe10Pd2 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.09–2.22 Å. Both Be–Pd bond lengths are 2.78 Å. In the second Be site, Be is bonded to ten Be and two equivalent Pd atoms to form a mixture of distorted face, edge, and corner-sharing BeBe10Pd2 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.27–2.32 Å. Both Be–Pd bond lengths are 2.66 Å. In the third Be site, Be is bonded in a 10-coordinate geometry to nine Be and one Pd atom. The Be–Be bond length is 2.21 Å. The Be–Pd bond length is 2.53 Å. Pd is bonded in a 12-coordinate geometry to twenty Be atoms.

Publication Date:
Other Number(s):
mp-12666
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; Be12Pd; Be-Pd
OSTI Identifier:
1189114
DOI:
https://doi.org/10.17188/1189114

Citation Formats

The Materials Project. Materials Data on Be12Pd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189114.
The Materials Project. Materials Data on Be12Pd by Materials Project. United States. doi:https://doi.org/10.17188/1189114
The Materials Project. 2020. "Materials Data on Be12Pd by Materials Project". United States. doi:https://doi.org/10.17188/1189114. https://www.osti.gov/servlets/purl/1189114. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1189114,
title = {Materials Data on Be12Pd by Materials Project},
author = {The Materials Project},
abstractNote = {Be12Pd crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Be sites. In the first Be site, Be is bonded to ten Be and two equivalent Pd atoms to form a mixture of face, edge, and corner-sharing BeBe10Pd2 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.09–2.22 Å. Both Be–Pd bond lengths are 2.78 Å. In the second Be site, Be is bonded to ten Be and two equivalent Pd atoms to form a mixture of distorted face, edge, and corner-sharing BeBe10Pd2 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.27–2.32 Å. Both Be–Pd bond lengths are 2.66 Å. In the third Be site, Be is bonded in a 10-coordinate geometry to nine Be and one Pd atom. The Be–Be bond length is 2.21 Å. The Be–Pd bond length is 2.53 Å. Pd is bonded in a 12-coordinate geometry to twenty Be atoms.},
doi = {10.17188/1189114},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}