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Title: Materials Data on PrY3 by Materials Project

Abstract

PrY3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded to twelve Y atoms to form PrY12 cuboctahedra that share corners with six equivalent PrY12 cuboctahedra, corners with twelve YPr4Y8 cuboctahedra, edges with eighteen YPr4Y8 cuboctahedra, faces with eight equivalent PrY12 cuboctahedra, and faces with twelve YPr4Y8 cuboctahedra. There are six shorter (3.61 Å) and six longer (3.67 Å) Pr–Y bond lengths. 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 four equivalent PrY12 cuboctahedra, corners with fourteen YPr4Y8 cuboctahedra, edges with six equivalent PrY12 cuboctahedra, edges with twelve YPr4Y8 cuboctahedra, faces with four equivalent PrY12 cuboctahedra, and faces with sixteen YPr4Y8 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.60–3.70 Å. In the second Y site, Y is bonded to four equivalent Pr and eight Y atoms to form YPr4Y8 cuboctahedra that share corners with four equivalent PrY12 cuboctahedra, corners with fourteen YPr4Y8 cuboctahedra, edges with six equivalent PrY12 cuboctahedra, edges with twelve YPr4Y8 cuboctahedra, faces with four equivalent PrY12 cuboctahedra, and faces with sixteenmore » YPr4Y8 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.60–3.70 Å.« less

Publication Date:
Other Number(s):
mp-1186784
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; PrY3; Pr-Y
OSTI Identifier:
1716926
DOI:
https://doi.org/10.17188/1716926

Citation Formats

The Materials Project. Materials Data on PrY3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1716926.
The Materials Project. Materials Data on PrY3 by Materials Project. United States. doi:https://doi.org/10.17188/1716926
The Materials Project. 2020. "Materials Data on PrY3 by Materials Project". United States. doi:https://doi.org/10.17188/1716926. https://www.osti.gov/servlets/purl/1716926. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1716926,
title = {Materials Data on PrY3 by Materials Project},
author = {The Materials Project},
abstractNote = {PrY3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded to twelve Y atoms to form PrY12 cuboctahedra that share corners with six equivalent PrY12 cuboctahedra, corners with twelve YPr4Y8 cuboctahedra, edges with eighteen YPr4Y8 cuboctahedra, faces with eight equivalent PrY12 cuboctahedra, and faces with twelve YPr4Y8 cuboctahedra. There are six shorter (3.61 Å) and six longer (3.67 Å) Pr–Y bond lengths. 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 four equivalent PrY12 cuboctahedra, corners with fourteen YPr4Y8 cuboctahedra, edges with six equivalent PrY12 cuboctahedra, edges with twelve YPr4Y8 cuboctahedra, faces with four equivalent PrY12 cuboctahedra, and faces with sixteen YPr4Y8 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.60–3.70 Å. In the second Y site, Y is bonded to four equivalent Pr and eight Y atoms to form YPr4Y8 cuboctahedra that share corners with four equivalent PrY12 cuboctahedra, corners with fourteen YPr4Y8 cuboctahedra, edges with six equivalent PrY12 cuboctahedra, edges with twelve YPr4Y8 cuboctahedra, faces with four equivalent PrY12 cuboctahedra, and faces with sixteen YPr4Y8 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.60–3.70 Å.},
doi = {10.17188/1716926},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}