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Title: Materials Data on LaU3 by Materials Project

Abstract

U3La crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent U sites. In the first U site, U is bonded to eight U and four equivalent La atoms to form distorted ULa4U8 cuboctahedra that share corners with four equivalent LaU12 cuboctahedra, corners with fourteen ULa4U8 cuboctahedra, edges with six equivalent LaU12 cuboctahedra, edges with twelve ULa4U8 cuboctahedra, faces with four equivalent LaU12 cuboctahedra, and faces with sixteen ULa4U8 cuboctahedra. There are a spread of U–U bond distances ranging from 2.86–3.44 Å. There are two shorter (3.16 Å) and two longer (3.40 Å) U–La bond lengths. In the second U site, U is bonded to eight equivalent U and four equivalent La atoms to form distorted ULa4U8 cuboctahedra that share corners with four equivalent LaU12 cuboctahedra, corners with fourteen ULa4U8 cuboctahedra, edges with six equivalent LaU12 cuboctahedra, edges with twelve equivalent ULa4U8 cuboctahedra, faces with four equivalent LaU12 cuboctahedra, and faces with sixteen ULa4U8 cuboctahedra. There are two shorter (3.16 Å) and two longer (3.40 Å) U–La bond lengths. In the third U site, U is bonded to eight equivalent U and four equivalent La atoms to form distorted ULa4U8 cuboctahedra that share corners withmore » four equivalent LaU12 cuboctahedra, corners with fourteen ULa4U8 cuboctahedra, edges with six equivalent LaU12 cuboctahedra, edges with twelve equivalent ULa4U8 cuboctahedra, faces with four equivalent LaU12 cuboctahedra, and faces with sixteen ULa4U8 cuboctahedra. There are two shorter (3.16 Å) and two longer (3.40 Å) U–La bond lengths. La is bonded to twelve U atoms to form LaU12 cuboctahedra that share corners with six equivalent LaU12 cuboctahedra, corners with twelve ULa4U8 cuboctahedra, edges with eighteen ULa4U8 cuboctahedra, faces with eight equivalent LaU12 cuboctahedra, and faces with twelve ULa4U8 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1185171
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; LaU3; La-U
OSTI Identifier:
1752936
DOI:
https://doi.org/10.17188/1752936

Citation Formats

The Materials Project. Materials Data on LaU3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1752936.
The Materials Project. Materials Data on LaU3 by Materials Project. United States. doi:https://doi.org/10.17188/1752936
The Materials Project. 2020. "Materials Data on LaU3 by Materials Project". United States. doi:https://doi.org/10.17188/1752936. https://www.osti.gov/servlets/purl/1752936. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1752936,
title = {Materials Data on LaU3 by Materials Project},
author = {The Materials Project},
abstractNote = {U3La crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent U sites. In the first U site, U is bonded to eight U and four equivalent La atoms to form distorted ULa4U8 cuboctahedra that share corners with four equivalent LaU12 cuboctahedra, corners with fourteen ULa4U8 cuboctahedra, edges with six equivalent LaU12 cuboctahedra, edges with twelve ULa4U8 cuboctahedra, faces with four equivalent LaU12 cuboctahedra, and faces with sixteen ULa4U8 cuboctahedra. There are a spread of U–U bond distances ranging from 2.86–3.44 Å. There are two shorter (3.16 Å) and two longer (3.40 Å) U–La bond lengths. In the second U site, U is bonded to eight equivalent U and four equivalent La atoms to form distorted ULa4U8 cuboctahedra that share corners with four equivalent LaU12 cuboctahedra, corners with fourteen ULa4U8 cuboctahedra, edges with six equivalent LaU12 cuboctahedra, edges with twelve equivalent ULa4U8 cuboctahedra, faces with four equivalent LaU12 cuboctahedra, and faces with sixteen ULa4U8 cuboctahedra. There are two shorter (3.16 Å) and two longer (3.40 Å) U–La bond lengths. In the third U site, U is bonded to eight equivalent U and four equivalent La atoms to form distorted ULa4U8 cuboctahedra that share corners with four equivalent LaU12 cuboctahedra, corners with fourteen ULa4U8 cuboctahedra, edges with six equivalent LaU12 cuboctahedra, edges with twelve equivalent ULa4U8 cuboctahedra, faces with four equivalent LaU12 cuboctahedra, and faces with sixteen ULa4U8 cuboctahedra. There are two shorter (3.16 Å) and two longer (3.40 Å) U–La bond lengths. La is bonded to twelve U atoms to form LaU12 cuboctahedra that share corners with six equivalent LaU12 cuboctahedra, corners with twelve ULa4U8 cuboctahedra, edges with eighteen ULa4U8 cuboctahedra, faces with eight equivalent LaU12 cuboctahedra, and faces with twelve ULa4U8 cuboctahedra.},
doi = {10.17188/1752936},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}