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Title: Materials Data on AlPPd4 by Materials Project

Abstract

Pd4AlP crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are twelve inequivalent Pd sites. In the first Pd site, Pd is bonded in a 2-coordinate geometry to two Al and two equivalent P atoms. There are one shorter (2.50 Å) and one longer (2.51 Å) Pd–Al bond lengths. Both Pd–P bond lengths are 2.44 Å. In the second Pd site, Pd is bonded in a 1-coordinate geometry to one Al and three P atoms. The Pd–Al bond length is 2.54 Å. All Pd–P bond lengths are 2.45 Å. In the third Pd site, Pd is bonded in a 1-coordinate geometry to one Al and three P atoms. The Pd–Al bond length is 2.52 Å. There are one shorter (2.44 Å) and two longer (2.48 Å) Pd–P bond lengths. In the fourth Pd site, Pd is bonded in a 2-coordinate geometry to two Al and two equivalent P atoms. There are one shorter (2.51 Å) and one longer (2.52 Å) Pd–Al bond lengths. Both Pd–P bond lengths are 2.42 Å. In the fifth Pd site, Pd is bonded in a 1-coordinate geometry to one Al and three P atoms. The Pd–Al bond length is 2.52 Å. Theremore » are one shorter (2.42 Å) and two longer (2.48 Å) Pd–P bond lengths. In the sixth Pd site, Pd is bonded in a 2-coordinate geometry to two Al and two equivalent P atoms. There are one shorter (2.52 Å) and one longer (2.53 Å) Pd–Al bond lengths. Both Pd–P bond lengths are 2.43 Å. In the seventh Pd site, Pd is bonded in a 2-coordinate geometry to two equivalent Al and three P atoms. Both Pd–Al bond lengths are 2.73 Å. There are two shorter (2.63 Å) and one longer (2.68 Å) Pd–P bond lengths. In the eighth Pd site, Pd is bonded in a 4-coordinate geometry to four Al and one P atom. There are two shorter (2.66 Å) and two longer (2.70 Å) Pd–Al bond lengths. The Pd–P bond length is 2.60 Å. In the ninth Pd site, Pd is bonded in a 2-coordinate geometry to two equivalent Al and three P atoms. Both Pd–Al bond lengths are 2.72 Å. There are two shorter (2.62 Å) and one longer (2.67 Å) Pd–P bond lengths. In the tenth Pd site, Pd is bonded in a 4-coordinate geometry to four Al and one P atom. There are two shorter (2.67 Å) and two longer (2.70 Å) Pd–Al bond lengths. The Pd–P bond length is 2.60 Å. In the eleventh Pd site, Pd is bonded in a 2-coordinate geometry to two equivalent Al and three P atoms. Both Pd–Al bond lengths are 2.71 Å. There are one shorter (2.61 Å) and two longer (2.67 Å) Pd–P bond lengths. In the twelfth Pd site, Pd is bonded in a 4-coordinate geometry to four Al and one P atom. All Pd–Al bond lengths are 2.67 Å. The Pd–P bond length is 2.64 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to nine Pd atoms. In the second Al site, Al is bonded in a 9-coordinate geometry to nine Pd atoms. In the third Al site, Al is bonded in a 9-coordinate geometry to nine Pd atoms. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to nine Pd atoms. In the second P site, P is bonded in a 9-coordinate geometry to nine Pd atoms. In the third P site, P is bonded in a 9-coordinate geometry to nine Pd atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1228856
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; AlPPd4; Al-P-Pd
OSTI Identifier:
1757715
DOI:
https://doi.org/10.17188/1757715

Citation Formats

The Materials Project. Materials Data on AlPPd4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1757715.
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The Materials Project. Materials Data on AlPPd4 by Materials Project. United States. doi:https://doi.org/10.17188/1757715
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The Materials Project. 2020. "Materials Data on AlPPd4 by Materials Project". United States. doi:https://doi.org/10.17188/1757715. https://www.osti.gov/servlets/purl/1757715. Pub date:Thu Sep 03 00:00:00 EDT 2020
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@article{osti_1757715,
title = {Materials Data on AlPPd4 by Materials Project},
author = {The Materials Project},
abstractNote = {Pd4AlP crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are twelve inequivalent Pd sites. In the first Pd site, Pd is bonded in a 2-coordinate geometry to two Al and two equivalent P atoms. There are one shorter (2.50 Å) and one longer (2.51 Å) Pd–Al bond lengths. Both Pd–P bond lengths are 2.44 Å. In the second Pd site, Pd is bonded in a 1-coordinate geometry to one Al and three P atoms. The Pd–Al bond length is 2.54 Å. All Pd–P bond lengths are 2.45 Å. In the third Pd site, Pd is bonded in a 1-coordinate geometry to one Al and three P atoms. The Pd–Al bond length is 2.52 Å. There are one shorter (2.44 Å) and two longer (2.48 Å) Pd–P bond lengths. In the fourth Pd site, Pd is bonded in a 2-coordinate geometry to two Al and two equivalent P atoms. There are one shorter (2.51 Å) and one longer (2.52 Å) Pd–Al bond lengths. Both Pd–P bond lengths are 2.42 Å. In the fifth Pd site, Pd is bonded in a 1-coordinate geometry to one Al and three P atoms. The Pd–Al bond length is 2.52 Å. There are one shorter (2.42 Å) and two longer (2.48 Å) Pd–P bond lengths. In the sixth Pd site, Pd is bonded in a 2-coordinate geometry to two Al and two equivalent P atoms. There are one shorter (2.52 Å) and one longer (2.53 Å) Pd–Al bond lengths. Both Pd–P bond lengths are 2.43 Å. In the seventh Pd site, Pd is bonded in a 2-coordinate geometry to two equivalent Al and three P atoms. Both Pd–Al bond lengths are 2.73 Å. There are two shorter (2.63 Å) and one longer (2.68 Å) Pd–P bond lengths. In the eighth Pd site, Pd is bonded in a 4-coordinate geometry to four Al and one P atom. There are two shorter (2.66 Å) and two longer (2.70 Å) Pd–Al bond lengths. The Pd–P bond length is 2.60 Å. In the ninth Pd site, Pd is bonded in a 2-coordinate geometry to two equivalent Al and three P atoms. Both Pd–Al bond lengths are 2.72 Å. There are two shorter (2.62 Å) and one longer (2.67 Å) Pd–P bond lengths. In the tenth Pd site, Pd is bonded in a 4-coordinate geometry to four Al and one P atom. There are two shorter (2.67 Å) and two longer (2.70 Å) Pd–Al bond lengths. The Pd–P bond length is 2.60 Å. In the eleventh Pd site, Pd is bonded in a 2-coordinate geometry to two equivalent Al and three P atoms. Both Pd–Al bond lengths are 2.71 Å. There are one shorter (2.61 Å) and two longer (2.67 Å) Pd–P bond lengths. In the twelfth Pd site, Pd is bonded in a 4-coordinate geometry to four Al and one P atom. All Pd–Al bond lengths are 2.67 Å. The Pd–P bond length is 2.64 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to nine Pd atoms. In the second Al site, Al is bonded in a 9-coordinate geometry to nine Pd atoms. In the third Al site, Al is bonded in a 9-coordinate geometry to nine Pd atoms. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to nine Pd atoms. In the second P site, P is bonded in a 9-coordinate geometry to nine Pd atoms. In the third P site, P is bonded in a 9-coordinate geometry to nine Pd atoms.},
doi = {10.17188/1757715},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Sep 03 00:00:00 EDT 2020},
month = {Thu Sep 03 00:00:00 EDT 2020}
}
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DOI: https://doi.org/10.17188/1757715
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