U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on U2PS by Materials Project
Abstract
U2PS 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 two equivalent P and four equivalent S atoms to form a mixture of edge and corner-sharing UP2S4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both U–P bond lengths are 2.75 Å. All U–S bond lengths are 2.76 Å. In the second U site, U is bonded to four equivalent P and two equivalent S atoms to form UP4S2 octahedra that share corners with six equivalent UP4S2 octahedra and edges with twelve UP2S4 octahedra. The corner-sharing octahedral tilt angles are 0°. All U–P bond lengths are 2.76 Å. Both U–S bond lengths are 2.75 Å. P is bonded to six U atoms to form PU6 octahedra that share corners with six equivalent PU6 octahedra, edges with four equivalent PU6 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 PU6 octahedra. The corner-sharing octahedralmore »
- Publication Date:
- Other Number(s):
- mp-1216706
- 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; P-S-U; U2PS; crystal structure
- OSTI Identifier:
- 1740425
- DOI:
- https://doi.org/10.17188/1740425
Citation Formats
Materials Data on U2PS by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1740425.
Materials Data on U2PS by Materials Project. United States. doi:https://doi.org/10.17188/1740425
2020.
"Materials Data on U2PS by Materials Project". United States. doi:https://doi.org/10.17188/1740425. https://www.osti.gov/servlets/purl/1740425. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1740425,
title = {Materials Data on U2PS by Materials Project},
abstractNote = {U2PS 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 two equivalent P and four equivalent S atoms to form a mixture of edge and corner-sharing UP2S4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both U–P bond lengths are 2.75 Å. All U–S bond lengths are 2.76 Å. In the second U site, U is bonded to four equivalent P and two equivalent S atoms to form UP4S2 octahedra that share corners with six equivalent UP4S2 octahedra and edges with twelve UP2S4 octahedra. The corner-sharing octahedral tilt angles are 0°. All U–P bond lengths are 2.76 Å. Both U–S bond lengths are 2.75 Å. P is bonded to six U atoms to form PU6 octahedra that share corners with six equivalent PU6 octahedra, edges with four equivalent PU6 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 PU6 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1740425},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}