U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on U(CuAs)2 by Materials Project
Abstract
U(CuAs)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. U4+ is bonded to six equivalent As3- atoms to form UAs6 octahedra that share corners with twelve equivalent CuAs4 tetrahedra, edges with six equivalent UAs6 octahedra, and edges with six equivalent CuAs4 tetrahedra. All U–As bond lengths are 2.88 Å. Cu1+ is bonded to four equivalent As3- atoms to form CuAs4 tetrahedra that share corners with six equivalent UAs6 octahedra, corners with six equivalent CuAs4 tetrahedra, edges with three equivalent UAs6 octahedra, and edges with three equivalent CuAs4 tetrahedra. The corner-sharing octahedra tilt angles range from 18–55°. There are three shorter (2.45 Å) and one longer (2.50 Å) Cu–As bond lengths. As3- is bonded to three equivalent U4+ and four equivalent Cu1+ atoms to form a mixture of distorted corner and edge-sharing AsU3Cu4 pentagonal bipyramids.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1069723
- 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; U(CuAs)2; As-Cu-U
- OSTI Identifier:
- 1730544
- DOI:
- https://doi.org/10.17188/1730544
Citation Formats
The Materials Project. Materials Data on U(CuAs)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1730544.
The Materials Project. Materials Data on U(CuAs)2 by Materials Project. United States. doi:https://doi.org/10.17188/1730544
The Materials Project. 2020.
"Materials Data on U(CuAs)2 by Materials Project". United States. doi:https://doi.org/10.17188/1730544. https://www.osti.gov/servlets/purl/1730544. Pub date:Sun Apr 26 00:00:00 EDT 2020
@article{osti_1730544,
title = {Materials Data on U(CuAs)2 by Materials Project},
author = {The Materials Project},
abstractNote = {U(CuAs)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. U4+ is bonded to six equivalent As3- atoms to form UAs6 octahedra that share corners with twelve equivalent CuAs4 tetrahedra, edges with six equivalent UAs6 octahedra, and edges with six equivalent CuAs4 tetrahedra. All U–As bond lengths are 2.88 Å. Cu1+ is bonded to four equivalent As3- atoms to form CuAs4 tetrahedra that share corners with six equivalent UAs6 octahedra, corners with six equivalent CuAs4 tetrahedra, edges with three equivalent UAs6 octahedra, and edges with three equivalent CuAs4 tetrahedra. The corner-sharing octahedra tilt angles range from 18–55°. There are three shorter (2.45 Å) and one longer (2.50 Å) Cu–As bond lengths. As3- is bonded to three equivalent U4+ and four equivalent Cu1+ atoms to form a mixture of distorted corner and edge-sharing AsU3Cu4 pentagonal bipyramids.},
doi = {10.17188/1730544},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun Apr 26 00:00:00 EDT 2020},
month = {Sun Apr 26 00:00:00 EDT 2020}
}