Materials Data on U2SeS by Materials Project
Abstract
U2SeS is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to four equivalent Se and two equivalent S atoms to form a mixture of corner and edge-sharing USe4S2 octahedra. The corner-sharing octahedral tilt angles are 0°. All U–Se bond lengths are 2.80 Å. Both U–S bond lengths are 2.80 Å. In the second U site, U is bonded to two equivalent Se and four equivalent S atoms to form USe2S4 octahedra that share corners with six equivalent USe2S4 octahedra and edges with twelve USe4S2 octahedra. The corner-sharing octahedral tilt angles are 0°. Both U–Se bond lengths are 2.80 Å. All U–S bond lengths are 2.80 Å. Se is bonded to six U atoms to form SeU6 octahedra that share corners with six equivalent SeU6 octahedra, edges with four equivalent SeU6 octahedra, and edges with eight equivalent SU6 octahedra. The corner-sharing octahedral tilt angles are 0°. S is bonded to six U atoms to form SU6 octahedra that share corners with six equivalent SU6 octahedra, edges with four equivalent SU6 octahedra, and edges with eight equivalent SeU6 octahedra. The corner-sharing octahedralmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1216534
- 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; U2SeS; S-Se-U
- OSTI Identifier:
- 1748479
- DOI:
- https://doi.org/10.17188/1748479
Citation Formats
The Materials Project. Materials Data on U2SeS by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1748479.
The Materials Project. Materials Data on U2SeS by Materials Project. United States. doi:https://doi.org/10.17188/1748479
The Materials Project. 2020.
"Materials Data on U2SeS by Materials Project". United States. doi:https://doi.org/10.17188/1748479. https://www.osti.gov/servlets/purl/1748479. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1748479,
title = {Materials Data on U2SeS by Materials Project},
author = {The Materials Project},
abstractNote = {U2SeS is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to four equivalent Se and two equivalent S atoms to form a mixture of corner and edge-sharing USe4S2 octahedra. The corner-sharing octahedral tilt angles are 0°. All U–Se bond lengths are 2.80 Å. Both U–S bond lengths are 2.80 Å. In the second U site, U is bonded to two equivalent Se and four equivalent S atoms to form USe2S4 octahedra that share corners with six equivalent USe2S4 octahedra and edges with twelve USe4S2 octahedra. The corner-sharing octahedral tilt angles are 0°. Both U–Se bond lengths are 2.80 Å. All U–S bond lengths are 2.80 Å. Se is bonded to six U atoms to form SeU6 octahedra that share corners with six equivalent SeU6 octahedra, edges with four equivalent SeU6 octahedra, and edges with eight equivalent SU6 octahedra. The corner-sharing octahedral tilt angles are 0°. S is bonded to six U atoms to form SU6 octahedra that share corners with six equivalent SU6 octahedra, edges with four equivalent SU6 octahedra, and edges with eight equivalent SeU6 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1748479},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}