DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on U2Si3Ni by Materials Project

Abstract

U2NiSi3 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent U5+ sites. In the first U5+ site, U5+ is bonded in a distorted q4 geometry to ten Si4- atoms. There are four shorter (3.00 Å) and six longer (3.03 Å) U–Si bond lengths. In the second U5+ site, U5+ is bonded to eight Si4- atoms to form a mixture of distorted corner, edge, and face-sharing USi8 hexagonal bipyramids. There are a spread of U–Si bond distances ranging from 2.95–2.99 Å. Ni2+ is bonded in a trigonal planar geometry to three Si4- atoms. There are one shorter (2.24 Å) and two longer (2.27 Å) Ni–Si bond lengths. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six U5+ and three Si4- atoms. There are one shorter (2.33 Å) and two longer (2.34 Å) Si–Si bond lengths. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to six U5+, two equivalent Ni2+, and one Si4- atom. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to six U5+, one Ni2+, and two equivalent Si4- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1216879
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; U2Si3Ni; Ni-Si-U
OSTI Identifier:
1667268
DOI:
https://doi.org/10.17188/1667268

Citation Formats

The Materials Project. Materials Data on U2Si3Ni by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1667268.
The Materials Project. Materials Data on U2Si3Ni by Materials Project. United States. doi:https://doi.org/10.17188/1667268
The Materials Project. 2020. "Materials Data on U2Si3Ni by Materials Project". United States. doi:https://doi.org/10.17188/1667268. https://www.osti.gov/servlets/purl/1667268. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1667268,
title = {Materials Data on U2Si3Ni by Materials Project},
author = {The Materials Project},
abstractNote = {U2NiSi3 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent U5+ sites. In the first U5+ site, U5+ is bonded in a distorted q4 geometry to ten Si4- atoms. There are four shorter (3.00 Å) and six longer (3.03 Å) U–Si bond lengths. In the second U5+ site, U5+ is bonded to eight Si4- atoms to form a mixture of distorted corner, edge, and face-sharing USi8 hexagonal bipyramids. There are a spread of U–Si bond distances ranging from 2.95–2.99 Å. Ni2+ is bonded in a trigonal planar geometry to three Si4- atoms. There are one shorter (2.24 Å) and two longer (2.27 Å) Ni–Si bond lengths. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six U5+ and three Si4- atoms. There are one shorter (2.33 Å) and two longer (2.34 Å) Si–Si bond lengths. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to six U5+, two equivalent Ni2+, and one Si4- atom. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to six U5+, one Ni2+, and two equivalent Si4- atoms.},
doi = {10.17188/1667268},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}