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Title: Materials Data on Pr3Sb5Pd6 by Materials Project

Abstract

Pr3Pd6Sb5 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to ten Pd and six Sb atoms. There are a spread of Pr–Pd bond distances ranging from 3.37–3.70 Å. There are two shorter (3.33 Å) and four longer (3.35 Å) Pr–Sb bond lengths. In the second Pr site, Pr is bonded in a 12-coordinate geometry to eight Pd and six Sb atoms. There are a spread of Pr–Pd bond distances ranging from 3.30–3.63 Å. There are a spread of Pr–Sb bond distances ranging from 3.33–3.38 Å. There are four inequivalent Pd sites. In the first Pd site, Pd is bonded in a 8-coordinate geometry to four Pr, two equivalent Pd, and four Sb atoms. Both Pd–Pd bond lengths are 3.14 Å. There are a spread of Pd–Sb bond distances ranging from 2.70–2.74 Å. In the second Pd site, Pd is bonded in a 12-coordinate geometry to four Pr, four equivalent Pd, and four Sb atoms. There are two shorter (2.72 Å) and two longer (2.74 Å) Pd–Sb bond lengths. In the third Pd site, Pd is bonded in a 10-coordinatemore » geometry to five Pr, one Pd, and four Sb atoms. The Pd–Pd bond length is 2.80 Å. There are a spread of Pd–Sb bond distances ranging from 2.65–2.73 Å. In the fourth Pd site, Pd is bonded in a 10-coordinate geometry to four Pr, two equivalent Pd, and four equivalent Sb atoms. All Pd–Sb bond lengths are 2.84 Å. There are three inequivalent Sb sites. In the first Sb site, Sb is bonded in a 8-coordinate geometry to three Pr and five Pd atoms. In the second Sb site, Sb is bonded in a 9-coordinate geometry to four Pr and five Pd atoms. In the third Sb site, Sb is bonded in a 8-coordinate geometry to four equivalent Pr and four Pd atoms.« less

Publication Date:
Other Number(s):
mp-542566
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; Pr3Sb5Pd6; Pd-Pr-Sb
OSTI Identifier:
1266578
DOI:
10.17188/1266578

Citation Formats

The Materials Project. Materials Data on Pr3Sb5Pd6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266578.
The Materials Project. Materials Data on Pr3Sb5Pd6 by Materials Project. United States. doi:10.17188/1266578.
The Materials Project. 2020. "Materials Data on Pr3Sb5Pd6 by Materials Project". United States. doi:10.17188/1266578. https://www.osti.gov/servlets/purl/1266578. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1266578,
title = {Materials Data on Pr3Sb5Pd6 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr3Pd6Sb5 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to ten Pd and six Sb atoms. There are a spread of Pr–Pd bond distances ranging from 3.37–3.70 Å. There are two shorter (3.33 Å) and four longer (3.35 Å) Pr–Sb bond lengths. In the second Pr site, Pr is bonded in a 12-coordinate geometry to eight Pd and six Sb atoms. There are a spread of Pr–Pd bond distances ranging from 3.30–3.63 Å. There are a spread of Pr–Sb bond distances ranging from 3.33–3.38 Å. There are four inequivalent Pd sites. In the first Pd site, Pd is bonded in a 8-coordinate geometry to four Pr, two equivalent Pd, and four Sb atoms. Both Pd–Pd bond lengths are 3.14 Å. There are a spread of Pd–Sb bond distances ranging from 2.70–2.74 Å. In the second Pd site, Pd is bonded in a 12-coordinate geometry to four Pr, four equivalent Pd, and four Sb atoms. There are two shorter (2.72 Å) and two longer (2.74 Å) Pd–Sb bond lengths. In the third Pd site, Pd is bonded in a 10-coordinate geometry to five Pr, one Pd, and four Sb atoms. The Pd–Pd bond length is 2.80 Å. There are a spread of Pd–Sb bond distances ranging from 2.65–2.73 Å. In the fourth Pd site, Pd is bonded in a 10-coordinate geometry to four Pr, two equivalent Pd, and four equivalent Sb atoms. All Pd–Sb bond lengths are 2.84 Å. There are three inequivalent Sb sites. In the first Sb site, Sb is bonded in a 8-coordinate geometry to three Pr and five Pd atoms. In the second Sb site, Sb is bonded in a 9-coordinate geometry to four Pr and five Pd atoms. In the third Sb site, Sb is bonded in a 8-coordinate geometry to four equivalent Pr and four Pd atoms.},
doi = {10.17188/1266578},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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