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Title: Materials Data on PrSiPd by Materials Project

Abstract

PrPdSi crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to five Pd and seven Si atoms to form a mixture of distorted edge and face-sharing PrSi7Pd5 cuboctahedra. There are a spread of Pr–Pd bond distances ranging from 3.08–3.49 Å. There are a spread of Pr–Si bond distances ranging from 3.16–3.37 Å. In the second Pr site, Pr is bonded in a 9-coordinate geometry to one Pr, seven Pd, and five Si atoms. The Pr–Pr bond length is 3.53 Å. There are a spread of Pr–Pd bond distances ranging from 3.02–3.47 Å. There are a spread of Pr–Si bond distances ranging from 3.07–3.49 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 5-coordinate geometry to six Pr and three equivalent Si atoms. There are a spread of Pd–Si bond distances ranging from 2.46–2.58 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six Pr and three Si atoms. There are a spread of Pd–Si bond distances ranging from 2.47–2.58 Å. There are two inequivalent Si sites. In the first Si site,more » Si is bonded in a 2-coordinate geometry to six Pr, two equivalent Pd, and one Si atom. The Si–Si bond length is 2.38 Å. In the second Si site, Si is bonded in a 4-coordinate geometry to six Pr and four Pd atoms.« less

Publication Date:
Other Number(s):
mp-29565
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; PrSiPd; Pd-Pr-Si
OSTI Identifier:
1204020
DOI:
10.17188/1204020

Citation Formats

The Materials Project. Materials Data on PrSiPd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204020.
The Materials Project. Materials Data on PrSiPd by Materials Project. United States. doi:10.17188/1204020.
The Materials Project. 2020. "Materials Data on PrSiPd by Materials Project". United States. doi:10.17188/1204020. https://www.osti.gov/servlets/purl/1204020. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1204020,
title = {Materials Data on PrSiPd by Materials Project},
author = {The Materials Project},
abstractNote = {PrPdSi crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to five Pd and seven Si atoms to form a mixture of distorted edge and face-sharing PrSi7Pd5 cuboctahedra. There are a spread of Pr–Pd bond distances ranging from 3.08–3.49 Å. There are a spread of Pr–Si bond distances ranging from 3.16–3.37 Å. In the second Pr site, Pr is bonded in a 9-coordinate geometry to one Pr, seven Pd, and five Si atoms. The Pr–Pr bond length is 3.53 Å. There are a spread of Pr–Pd bond distances ranging from 3.02–3.47 Å. There are a spread of Pr–Si bond distances ranging from 3.07–3.49 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 5-coordinate geometry to six Pr and three equivalent Si atoms. There are a spread of Pd–Si bond distances ranging from 2.46–2.58 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six Pr and three Si atoms. There are a spread of Pd–Si bond distances ranging from 2.47–2.58 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 2-coordinate geometry to six Pr, two equivalent Pd, and one Si atom. The Si–Si bond length is 2.38 Å. In the second Si site, Si is bonded in a 4-coordinate geometry to six Pr and four Pd atoms.},
doi = {10.17188/1204020},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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