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Title: Materials Data on PrSmCo17 by Materials Project

Abstract

SmPrCo17 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Sm is bonded in a 10-coordinate geometry to nineteen Co atoms. There are a spread of Sm–Co bond distances ranging from 3.00–3.23 Å. Pr is bonded in a 10-coordinate geometry to nineteen Co atoms. There are a spread of Pr–Co bond distances ranging from 3.00–3.26 Å. There are six inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to one Sm, one Pr, and ten Co atoms. There are a spread of Co–Co bond distances ranging from 2.37–2.65 Å. In the second Co site, Co is bonded to two equivalent Sm, one Pr, and nine Co atoms to form CoPrSm2Co9 cuboctahedra that share corners with fifteen CoPrSm2Co9 cuboctahedra, edges with eight CoPrSmCo10 cuboctahedra, and faces with ten CoPrSm2Co9 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.40–2.58 Å. In the third Co site, Co is bonded to one Sm, two equivalent Pr, and nine Co atoms to form CoPr2SmCo9 cuboctahedra that share corners with fifteen CoPrSm2Co9 cuboctahedra, edges with eight CoPrSmCo10 cuboctahedra, and faces with ten CoPrSm2Co9 cuboctahedra. There are two shorter (2.41 Å) and one longer (2.59 Å)more » Co–Co bond lengths. In the fourth Co site, Co is bonded to one Sm, one Pr, and ten Co atoms to form CoPrSmCo10 cuboctahedra that share corners with fourteen CoPrSmCo10 cuboctahedra, edges with six CoPrSm2Co9 cuboctahedra, and faces with ten CoPrSm2Co9 cuboctahedra. There are one shorter (2.56 Å) and one longer (2.57 Å) Co–Co bond lengths. In the fifth Co site, Co is bonded in a 2-coordinate geometry to one Pr and thirteen Co atoms. The Co–Co bond length is 2.33 Å. In the sixth Co site, Co is bonded in a 2-coordinate geometry to one Sm and thirteen Co atoms.« less

Publication Date:
Other Number(s):
mp-1219785
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; PrSmCo17; Co-Pr-Sm
OSTI Identifier:
1686570
DOI:
https://doi.org/10.17188/1686570

Citation Formats

The Materials Project. Materials Data on PrSmCo17 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1686570.
The Materials Project. Materials Data on PrSmCo17 by Materials Project. United States. doi:https://doi.org/10.17188/1686570
The Materials Project. 2020. "Materials Data on PrSmCo17 by Materials Project". United States. doi:https://doi.org/10.17188/1686570. https://www.osti.gov/servlets/purl/1686570. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1686570,
title = {Materials Data on PrSmCo17 by Materials Project},
author = {The Materials Project},
abstractNote = {SmPrCo17 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Sm is bonded in a 10-coordinate geometry to nineteen Co atoms. There are a spread of Sm–Co bond distances ranging from 3.00–3.23 Å. Pr is bonded in a 10-coordinate geometry to nineteen Co atoms. There are a spread of Pr–Co bond distances ranging from 3.00–3.26 Å. There are six inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to one Sm, one Pr, and ten Co atoms. There are a spread of Co–Co bond distances ranging from 2.37–2.65 Å. In the second Co site, Co is bonded to two equivalent Sm, one Pr, and nine Co atoms to form CoPrSm2Co9 cuboctahedra that share corners with fifteen CoPrSm2Co9 cuboctahedra, edges with eight CoPrSmCo10 cuboctahedra, and faces with ten CoPrSm2Co9 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.40–2.58 Å. In the third Co site, Co is bonded to one Sm, two equivalent Pr, and nine Co atoms to form CoPr2SmCo9 cuboctahedra that share corners with fifteen CoPrSm2Co9 cuboctahedra, edges with eight CoPrSmCo10 cuboctahedra, and faces with ten CoPrSm2Co9 cuboctahedra. There are two shorter (2.41 Å) and one longer (2.59 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded to one Sm, one Pr, and ten Co atoms to form CoPrSmCo10 cuboctahedra that share corners with fourteen CoPrSmCo10 cuboctahedra, edges with six CoPrSm2Co9 cuboctahedra, and faces with ten CoPrSm2Co9 cuboctahedra. There are one shorter (2.56 Å) and one longer (2.57 Å) Co–Co bond lengths. In the fifth Co site, Co is bonded in a 2-coordinate geometry to one Pr and thirteen Co atoms. The Co–Co bond length is 2.33 Å. In the sixth Co site, Co is bonded in a 2-coordinate geometry to one Sm and thirteen Co atoms.},
doi = {10.17188/1686570},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}