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Title: Materials Data on YbPr3 by Materials Project

Abstract

YbPr3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to twelve Pr atoms to form YbPr12 cuboctahedra that share corners with six equivalent YbPr12 cuboctahedra, corners with twelve PrYb4Pr8 cuboctahedra, edges with eighteen PrYb4Pr8 cuboctahedra, faces with eight equivalent YbPr12 cuboctahedra, and faces with twelve PrYb4Pr8 cuboctahedra. There are six shorter (3.72 Å) and six longer (3.74 Å) Yb–Pr bond lengths. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded to four equivalent Yb and eight Pr atoms to form PrYb4Pr8 cuboctahedra that share corners with four equivalent YbPr12 cuboctahedra, corners with fourteen PrYb4Pr8 cuboctahedra, edges with six equivalent YbPr12 cuboctahedra, edges with twelve PrYb4Pr8 cuboctahedra, faces with four equivalent YbPr12 cuboctahedra, and faces with sixteen PrYb4Pr8 cuboctahedra. There are a spread of Pr–Pr bond distances ranging from 3.70–3.78 Å. In the second Pr site, Pr is bonded to four equivalent Yb and eight Pr atoms to form PrYb4Pr8 cuboctahedra that share corners with four equivalent YbPr12 cuboctahedra, corners with fourteen PrYb4Pr8 cuboctahedra, edges with six equivalent YbPr12 cuboctahedra, edges with twelve PrYb4Pr8 cuboctahedra, faces with four equivalent YbPr12 cuboctahedra, and faces with sixteen PrYb4Pr8more » cuboctahedra. There are a spread of Pr–Pr bond distances ranging from 3.70–3.78 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1187548
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; YbPr3; Pr-Yb
OSTI Identifier:
1708099
DOI:
https://doi.org/10.17188/1708099

Citation Formats

The Materials Project. Materials Data on YbPr3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1708099.
The Materials Project. Materials Data on YbPr3 by Materials Project. United States. doi:https://doi.org/10.17188/1708099
The Materials Project. 2020. "Materials Data on YbPr3 by Materials Project". United States. doi:https://doi.org/10.17188/1708099. https://www.osti.gov/servlets/purl/1708099. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1708099,
title = {Materials Data on YbPr3 by Materials Project},
author = {The Materials Project},
abstractNote = {YbPr3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to twelve Pr atoms to form YbPr12 cuboctahedra that share corners with six equivalent YbPr12 cuboctahedra, corners with twelve PrYb4Pr8 cuboctahedra, edges with eighteen PrYb4Pr8 cuboctahedra, faces with eight equivalent YbPr12 cuboctahedra, and faces with twelve PrYb4Pr8 cuboctahedra. There are six shorter (3.72 Å) and six longer (3.74 Å) Yb–Pr bond lengths. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded to four equivalent Yb and eight Pr atoms to form PrYb4Pr8 cuboctahedra that share corners with four equivalent YbPr12 cuboctahedra, corners with fourteen PrYb4Pr8 cuboctahedra, edges with six equivalent YbPr12 cuboctahedra, edges with twelve PrYb4Pr8 cuboctahedra, faces with four equivalent YbPr12 cuboctahedra, and faces with sixteen PrYb4Pr8 cuboctahedra. There are a spread of Pr–Pr bond distances ranging from 3.70–3.78 Å. In the second Pr site, Pr is bonded to four equivalent Yb and eight Pr atoms to form PrYb4Pr8 cuboctahedra that share corners with four equivalent YbPr12 cuboctahedra, corners with fourteen PrYb4Pr8 cuboctahedra, edges with six equivalent YbPr12 cuboctahedra, edges with twelve PrYb4Pr8 cuboctahedra, faces with four equivalent YbPr12 cuboctahedra, and faces with sixteen PrYb4Pr8 cuboctahedra. There are a spread of Pr–Pr bond distances ranging from 3.70–3.78 Å.},
doi = {10.17188/1708099},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}