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Title: Materials Data on PrY3 by Materials Project

Abstract

PrY3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr is bonded to twelve Y atoms to form PrY12 cuboctahedra that share corners with four equivalent PrY12 cuboctahedra, corners with eight equivalent YPr4Y8 cuboctahedra, edges with eight equivalent PrY12 cuboctahedra, edges with sixteen equivalent YPr4Y8 cuboctahedra, faces with four equivalent PrY12 cuboctahedra, and faces with fourteen YPr4Y8 cuboctahedra. All Pr–Y bond lengths are 3.62 Å. There are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Pr and eight Y atoms to form YPr4Y8 cuboctahedra that share corners with twelve equivalent YPr4Y8 cuboctahedra, edges with eight equivalent PrY12 cuboctahedra, edges with sixteen YPr4Y8 cuboctahedra, faces with four equivalent PrY12 cuboctahedra, and faces with fourteen YPr4Y8 cuboctahedra. All Y–Y bond lengths are 3.62 Å. In the second Y site, Y is bonded to four equivalent Pr and eight equivalent Y atoms to form YPr4Y8 cuboctahedra that share corners with four equivalent YPr4Y8 cuboctahedra, corners with eight equivalent PrY12 cuboctahedra, edges with twenty-four YPr4Y8 cuboctahedra, faces with six equivalent PrY12 cuboctahedra, and faces with twelve YPr4Y8 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-975784
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; PrY3; Pr-Y
OSTI Identifier:
1314877
DOI:
https://doi.org/10.17188/1314877

Citation Formats

The Materials Project. Materials Data on PrY3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314877.
The Materials Project. Materials Data on PrY3 by Materials Project. United States. doi:https://doi.org/10.17188/1314877
The Materials Project. 2020. "Materials Data on PrY3 by Materials Project". United States. doi:https://doi.org/10.17188/1314877. https://www.osti.gov/servlets/purl/1314877. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1314877,
title = {Materials Data on PrY3 by Materials Project},
author = {The Materials Project},
abstractNote = {PrY3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr is bonded to twelve Y atoms to form PrY12 cuboctahedra that share corners with four equivalent PrY12 cuboctahedra, corners with eight equivalent YPr4Y8 cuboctahedra, edges with eight equivalent PrY12 cuboctahedra, edges with sixteen equivalent YPr4Y8 cuboctahedra, faces with four equivalent PrY12 cuboctahedra, and faces with fourteen YPr4Y8 cuboctahedra. All Pr–Y bond lengths are 3.62 Å. There are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Pr and eight Y atoms to form YPr4Y8 cuboctahedra that share corners with twelve equivalent YPr4Y8 cuboctahedra, edges with eight equivalent PrY12 cuboctahedra, edges with sixteen YPr4Y8 cuboctahedra, faces with four equivalent PrY12 cuboctahedra, and faces with fourteen YPr4Y8 cuboctahedra. All Y–Y bond lengths are 3.62 Å. In the second Y site, Y is bonded to four equivalent Pr and eight equivalent Y atoms to form YPr4Y8 cuboctahedra that share corners with four equivalent YPr4Y8 cuboctahedra, corners with eight equivalent PrY12 cuboctahedra, edges with twenty-four YPr4Y8 cuboctahedra, faces with six equivalent PrY12 cuboctahedra, and faces with twelve YPr4Y8 cuboctahedra.},
doi = {10.17188/1314877},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}