U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on U2Ga3Cu by Materials Project
Abstract
U2CuGa3 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 12-coordinate geometry to two equivalent U, two equivalent Cu, and ten Ga atoms. Both U–U bond lengths are 2.93 Å. Both U–Cu bond lengths are 3.05 Å. There are eight shorter (3.09 Å) and two longer (3.17 Å) U–Ga bond lengths. In the second U site, U is bonded in a 12-coordinate geometry to two equivalent U, four equivalent Cu, and eight Ga atoms. Both U–U bond lengths are 2.93 Å. All U–Cu bond lengths are 3.08 Å. There are a spread of U–Ga bond distances ranging from 3.02–3.08 Å. Cu is bonded in a 11-coordinate geometry to six U, two equivalent Cu, and three Ga atoms. Both Cu–Cu bond lengths are 2.93 Å. There are one shorter (2.65 Å) and two longer (2.66 Å) Cu–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to six U and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.74–2.93 Å. In the second Ga site, Ga ismore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1216947
- 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; U2Ga3Cu; Cu-Ga-U
- OSTI Identifier:
- 1674551
- DOI:
- https://doi.org/10.17188/1674551
Citation Formats
The Materials Project. Materials Data on U2Ga3Cu by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1674551.
The Materials Project. Materials Data on U2Ga3Cu by Materials Project. United States. doi:https://doi.org/10.17188/1674551
The Materials Project. 2019.
"Materials Data on U2Ga3Cu by Materials Project". United States. doi:https://doi.org/10.17188/1674551. https://www.osti.gov/servlets/purl/1674551. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1674551,
title = {Materials Data on U2Ga3Cu by Materials Project},
author = {The Materials Project},
abstractNote = {U2CuGa3 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 12-coordinate geometry to two equivalent U, two equivalent Cu, and ten Ga atoms. Both U–U bond lengths are 2.93 Å. Both U–Cu bond lengths are 3.05 Å. There are eight shorter (3.09 Å) and two longer (3.17 Å) U–Ga bond lengths. In the second U site, U is bonded in a 12-coordinate geometry to two equivalent U, four equivalent Cu, and eight Ga atoms. Both U–U bond lengths are 2.93 Å. All U–Cu bond lengths are 3.08 Å. There are a spread of U–Ga bond distances ranging from 3.02–3.08 Å. Cu is bonded in a 11-coordinate geometry to six U, two equivalent Cu, and three Ga atoms. Both Cu–Cu bond lengths are 2.93 Å. There are one shorter (2.65 Å) and two longer (2.66 Å) Cu–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to six U and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.74–2.93 Å. In the second Ga site, Ga is bonded in a 11-coordinate geometry to six U, two equivalent Cu, and three Ga atoms. Both Ga–Ga bond lengths are 2.93 Å. In the third Ga site, Ga is bonded in a 11-coordinate geometry to six U, one Cu, and four Ga atoms. Both Ga–Ga bond lengths are 2.93 Å.},
doi = {10.17188/1674551},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}