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Title: Materials Data on LaPr3 by Materials Project

Abstract

Pr3La is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to eight Pr and four equivalent La atoms to form PrLa4Pr8 cuboctahedra that share corners with twelve equivalent PrLa4Pr8 cuboctahedra, edges with eight equivalent LaPr12 cuboctahedra, edges with sixteen PrLa4Pr8 cuboctahedra, faces with four equivalent LaPr12 cuboctahedra, and faces with fourteen PrLa4Pr8 cuboctahedra. There are four shorter (3.73 Å) and four longer (3.74 Å) Pr–Pr bond lengths. All Pr–La bond lengths are 3.73 Å. In the second Pr site, Pr is bonded to eight equivalent Pr and four equivalent La atoms to form PrLa4Pr8 cuboctahedra that share corners with four equivalent PrLa4Pr8 cuboctahedra, corners with eight equivalent LaPr12 cuboctahedra, edges with twenty-four PrLa4Pr8 cuboctahedra, faces with six equivalent LaPr12 cuboctahedra, and faces with twelve PrLa4Pr8 cuboctahedra. All Pr–La bond lengths are 3.74 Å. La is bonded to twelve Pr atoms to form LaPr12 cuboctahedra that share corners with four equivalent LaPr12 cuboctahedra, corners with eight equivalent PrLa4Pr8 cuboctahedra, edges with eight equivalent LaPr12 cuboctahedra, edges with sixteen equivalent PrLa4Pr8 cuboctahedra, faces with four equivalent LaPr12 cuboctahedra, and faces withmore » fourteen PrLa4Pr8 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1185132
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; LaPr3; La-Pr
OSTI Identifier:
1681472
DOI:
https://doi.org/10.17188/1681472

Citation Formats

The Materials Project. Materials Data on LaPr3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1681472.
The Materials Project. Materials Data on LaPr3 by Materials Project. United States. doi:https://doi.org/10.17188/1681472
The Materials Project. 2020. "Materials Data on LaPr3 by Materials Project". United States. doi:https://doi.org/10.17188/1681472. https://www.osti.gov/servlets/purl/1681472. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1681472,
title = {Materials Data on LaPr3 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr3La is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to eight Pr and four equivalent La atoms to form PrLa4Pr8 cuboctahedra that share corners with twelve equivalent PrLa4Pr8 cuboctahedra, edges with eight equivalent LaPr12 cuboctahedra, edges with sixteen PrLa4Pr8 cuboctahedra, faces with four equivalent LaPr12 cuboctahedra, and faces with fourteen PrLa4Pr8 cuboctahedra. There are four shorter (3.73 Å) and four longer (3.74 Å) Pr–Pr bond lengths. All Pr–La bond lengths are 3.73 Å. In the second Pr site, Pr is bonded to eight equivalent Pr and four equivalent La atoms to form PrLa4Pr8 cuboctahedra that share corners with four equivalent PrLa4Pr8 cuboctahedra, corners with eight equivalent LaPr12 cuboctahedra, edges with twenty-four PrLa4Pr8 cuboctahedra, faces with six equivalent LaPr12 cuboctahedra, and faces with twelve PrLa4Pr8 cuboctahedra. All Pr–La bond lengths are 3.74 Å. La is bonded to twelve Pr atoms to form LaPr12 cuboctahedra that share corners with four equivalent LaPr12 cuboctahedra, corners with eight equivalent PrLa4Pr8 cuboctahedra, edges with eight equivalent LaPr12 cuboctahedra, edges with sixteen equivalent PrLa4Pr8 cuboctahedra, faces with four equivalent LaPr12 cuboctahedra, and faces with fourteen PrLa4Pr8 cuboctahedra.},
doi = {10.17188/1681472},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}