skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on UGa5Ir by Materials Project

Abstract

UIrGa5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. U is bonded to twelve Ga atoms to form distorted UGa12 cuboctahedra that share corners with four equivalent UGa12 cuboctahedra, faces with four equivalent UGa12 cuboctahedra, and faces with four equivalent GaU4Ga8 cuboctahedra. There are eight shorter (2.96 Å) and four longer (3.07 Å) U–Ga bond lengths. Ir is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ir–Ga bond lengths are 2.57 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent U, two equivalent Ir, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.96 Å. In the second Ga site, Ga is bonded to four equivalent U and eight equivalent Ga atoms to form GaU4Ga8 cuboctahedra that share corners with four equivalent GaU4Ga8 cuboctahedra, faces with four equivalent UGa12 cuboctahedra, and faces with four equivalent GaU4Ga8 cuboctahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-623006
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; UGa5Ir; Ga-Ir-U
OSTI Identifier:
1278166
DOI:
10.17188/1278166

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on UGa5Ir by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278166.
Persson, Kristin, & Project, Materials. Materials Data on UGa5Ir by Materials Project. United States. doi:10.17188/1278166.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on UGa5Ir by Materials Project". United States. doi:10.17188/1278166. https://www.osti.gov/servlets/purl/1278166. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1278166,
title = {Materials Data on UGa5Ir by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {UIrGa5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. U is bonded to twelve Ga atoms to form distorted UGa12 cuboctahedra that share corners with four equivalent UGa12 cuboctahedra, faces with four equivalent UGa12 cuboctahedra, and faces with four equivalent GaU4Ga8 cuboctahedra. There are eight shorter (2.96 Å) and four longer (3.07 Å) U–Ga bond lengths. Ir is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ir–Ga bond lengths are 2.57 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent U, two equivalent Ir, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.96 Å. In the second Ga site, Ga is bonded to four equivalent U and eight equivalent Ga atoms to form GaU4Ga8 cuboctahedra that share corners with four equivalent GaU4Ga8 cuboctahedra, faces with four equivalent UGa12 cuboctahedra, and faces with four equivalent GaU4Ga8 cuboctahedra.},
doi = {10.17188/1278166},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: