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Title: Materials Data on Pr4Mg3Co2 by Materials Project

Abstract

Mg3Pr4Co2 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to one Mg, eight Pr, and one Co atom. The Mg–Mg bond length is 3.16 Å. There are a spread of Mg–Pr bond distances ranging from 3.38–3.58 Å. The Mg–Co bond length is 3.17 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to eight Pr and two equivalent Co atoms. There are four shorter (3.27 Å) and four longer (3.49 Å) Mg–Pr bond lengths. Both Mg–Co bond lengths are 3.12 Å. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a distorted L-shaped geometry to six Mg and two equivalent Co atoms. Both Pr–Co bond lengths are 2.78 Å. In the second Pr site, Pr is bonded in a 4-coordinate geometry to six Mg and four equivalent Co atoms. There are two shorter (2.95 Å) and two longer (3.00 Å) Pr–Co bond lengths. Co is bonded in a 9-coordinate geometry to two Mg, six Pr, and one Co atom. The Co–Co bond length is 2.33 Å.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-1207236
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; Pr4Mg3Co2; Co-Mg-Pr
OSTI Identifier:
1672275
DOI:
10.17188/1672275

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Pr4Mg3Co2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1672275.
Persson, Kristin, & Project, Materials. Materials Data on Pr4Mg3Co2 by Materials Project. United States. doi:10.17188/1672275.
Persson, Kristin, and Project, Materials. 2019. "Materials Data on Pr4Mg3Co2 by Materials Project". United States. doi:10.17188/1672275. https://www.osti.gov/servlets/purl/1672275. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1672275,
title = {Materials Data on Pr4Mg3Co2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Mg3Pr4Co2 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to one Mg, eight Pr, and one Co atom. The Mg–Mg bond length is 3.16 Å. There are a spread of Mg–Pr bond distances ranging from 3.38–3.58 Å. The Mg–Co bond length is 3.17 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to eight Pr and two equivalent Co atoms. There are four shorter (3.27 Å) and four longer (3.49 Å) Mg–Pr bond lengths. Both Mg–Co bond lengths are 3.12 Å. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a distorted L-shaped geometry to six Mg and two equivalent Co atoms. Both Pr–Co bond lengths are 2.78 Å. In the second Pr site, Pr is bonded in a 4-coordinate geometry to six Mg and four equivalent Co atoms. There are two shorter (2.95 Å) and two longer (3.00 Å) Pr–Co bond lengths. Co is bonded in a 9-coordinate geometry to two Mg, six Pr, and one Co atom. The Co–Co bond length is 2.33 Å.},
doi = {10.17188/1672275},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}

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