U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ThU(MnSi)4 by Materials Project
Abstract
UTh(MnSi)4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. U4+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All U–Si bond lengths are 3.05 Å. Th4+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All Th–Si bond lengths are 3.08 Å. Mn2+ is bonded to four Si4- atoms to form a mixture of edge and corner-sharing MnSi4 tetrahedra. There are two shorter (2.36 Å) and two longer (2.39 Å) Mn–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Th4+, four equivalent Mn2+, and one Si4- atom. The Si–Si bond length is 2.57 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent U4+, four equivalent Mn2+, and one Si4- atom. The Si–Si bond length is 2.39 Å.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1217372
- 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; ThU(MnSi)4; Mn-Si-Th-U
- OSTI Identifier:
- 1707982
- DOI:
- https://doi.org/10.17188/1707982
Citation Formats
The Materials Project. Materials Data on ThU(MnSi)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1707982.
The Materials Project. Materials Data on ThU(MnSi)4 by Materials Project. United States. doi:https://doi.org/10.17188/1707982
The Materials Project. 2020.
"Materials Data on ThU(MnSi)4 by Materials Project". United States. doi:https://doi.org/10.17188/1707982. https://www.osti.gov/servlets/purl/1707982. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1707982,
title = {Materials Data on ThU(MnSi)4 by Materials Project},
author = {The Materials Project},
abstractNote = {UTh(MnSi)4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. U4+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All U–Si bond lengths are 3.05 Å. Th4+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All Th–Si bond lengths are 3.08 Å. Mn2+ is bonded to four Si4- atoms to form a mixture of edge and corner-sharing MnSi4 tetrahedra. There are two shorter (2.36 Å) and two longer (2.39 Å) Mn–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Th4+, four equivalent Mn2+, and one Si4- atom. The Si–Si bond length is 2.57 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent U4+, four equivalent Mn2+, and one Si4- atom. The Si–Si bond length is 2.39 Å.},
doi = {10.17188/1707982},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}