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Title: 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}
}