U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on U5SiS4 by Materials Project
Abstract
U5SiS4 is Caswellsilverite-like structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are six inequivalent U sites. In the first U site, U is bonded to one Si and five equivalent S atoms to form a mixture of edge and corner-sharing USiS5 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. The U–Si bond length is 2.80 Å. There are two shorter (2.74 Å) and three longer (2.76 Å) U–S bond lengths. In the second U site, U is bonded to two equivalent Si and four equivalent S atoms to form a mixture of edge and corner-sharing USi2S4 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. Both U–Si bond lengths are 2.76 Å. All U–S bond lengths are 2.76 Å. In the third U site, U is bonded to one Si and five equivalent S atoms to form a mixture of edge and corner-sharing USiS5 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. The U–Si bond length is 2.80 Å. There are two shorter (2.74 Å) and three longer (2.76 Å) U–S bond lengths. In the fourth U site, U is bonded to one Si and five equivalent S atoms to form amore »
- Publication Date:
- Other Number(s):
- mp-1216882
- 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; S-Si-U; U5SiS4; crystal structure
- OSTI Identifier:
- 1681617
- DOI:
- https://doi.org/10.17188/1681617
Citation Formats
Materials Data on U5SiS4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1681617.
Materials Data on U5SiS4 by Materials Project. United States. doi:https://doi.org/10.17188/1681617
2020.
"Materials Data on U5SiS4 by Materials Project". United States. doi:https://doi.org/10.17188/1681617. https://www.osti.gov/servlets/purl/1681617. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1681617,
title = {Materials Data on U5SiS4 by Materials Project},
abstractNote = {U5SiS4 is Caswellsilverite-like structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are six inequivalent U sites. In the first U site, U is bonded to one Si and five equivalent S atoms to form a mixture of edge and corner-sharing USiS5 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. The U–Si bond length is 2.80 Å. There are two shorter (2.74 Å) and three longer (2.76 Å) U–S bond lengths. In the second U site, U is bonded to two equivalent Si and four equivalent S atoms to form a mixture of edge and corner-sharing USi2S4 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. Both U–Si bond lengths are 2.76 Å. All U–S bond lengths are 2.76 Å. In the third U site, U is bonded to one Si and five equivalent S atoms to form a mixture of edge and corner-sharing USiS5 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. The U–Si bond length is 2.80 Å. There are two shorter (2.74 Å) and three longer (2.76 Å) U–S bond lengths. In the fourth U site, U is bonded to one Si and five equivalent S atoms to form a mixture of edge and corner-sharing USiS5 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. The U–Si bond length is 2.80 Å. There are two shorter (2.74 Å) and three longer (2.76 Å) U–S bond lengths. In the fifth U site, U is bonded to one Si and five equivalent S atoms to form a mixture of edge and corner-sharing USiS5 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. The U–Si bond length is 2.80 Å. There are two shorter (2.74 Å) and three longer (2.76 Å) U–S bond lengths. In the sixth U site, U is bonded to one Si and five equivalent S atoms to form a mixture of edge and corner-sharing USiS5 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. The U–Si bond length is 2.80 Å. There are two shorter (2.74 Å) and three longer (2.76 Å) U–S bond lengths. Si is bonded to six U atoms to form SiU6 octahedra that share corners with two equivalent SiU6 octahedra, corners with four equivalent SU6 octahedra, and edges with twelve equivalent SU6 octahedra. The corner-sharing octahedral tilt angles are 0°. S is bonded to six U atoms to form SU6 octahedra that share a cornercorner with one SiU6 octahedra, corners with five equivalent SU6 octahedra, edges with three equivalent SiU6 octahedra, and edges with nine equivalent SU6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°.},
doi = {10.17188/1681617},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}