U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on U2SeN2 by Materials Project
Abstract
U2N2Se crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. U4+ is bonded in a 4-coordinate geometry to four equivalent N3- and three equivalent Se2- atoms. There are one shorter (2.27 Å) and three longer (2.28 Å) U–N bond lengths. All U–Se bond lengths are 3.00 Å. N3- is bonded to four equivalent U4+ atoms to form NU4 tetrahedra that share corners with six equivalent SeU6 octahedra, corners with six equivalent NU4 tetrahedra, edges with three equivalent SeU6 octahedra, and edges with three equivalent NU4 tetrahedra. The corner-sharing octahedra tilt angles range from 29–48°. Se2- is bonded to six equivalent U4+ atoms to form distorted SeU6 octahedra that share corners with twelve equivalent NU4 tetrahedra, edges with six equivalent SeU6 octahedra, and edges with six equivalent NU4 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-3048
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; N-Se-U; U2SeN2; crystal structure
- OSTI Identifier:
- 1204886
- DOI:
- https://doi.org/10.17188/1204886
Citation Formats
Materials Data on U2SeN2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204886.
Materials Data on U2SeN2 by Materials Project. United States. doi:https://doi.org/10.17188/1204886
2020.
"Materials Data on U2SeN2 by Materials Project". United States. doi:https://doi.org/10.17188/1204886. https://www.osti.gov/servlets/purl/1204886. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1204886,
title = {Materials Data on U2SeN2 by Materials Project},
abstractNote = {U2N2Se crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. U4+ is bonded in a 4-coordinate geometry to four equivalent N3- and three equivalent Se2- atoms. There are one shorter (2.27 Å) and three longer (2.28 Å) U–N bond lengths. All U–Se bond lengths are 3.00 Å. N3- is bonded to four equivalent U4+ atoms to form NU4 tetrahedra that share corners with six equivalent SeU6 octahedra, corners with six equivalent NU4 tetrahedra, edges with three equivalent SeU6 octahedra, and edges with three equivalent NU4 tetrahedra. The corner-sharing octahedra tilt angles range from 29–48°. Se2- is bonded to six equivalent U4+ atoms to form distorted SeU6 octahedra that share corners with twelve equivalent NU4 tetrahedra, edges with six equivalent SeU6 octahedra, and edges with six equivalent NU4 tetrahedra.},
doi = {10.17188/1204886},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}