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

Title: Materials Data on USi3Ni2 by Materials Project

Abstract

UNi2Si3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U6+ is bonded in a 8-coordinate geometry to eight Si4- atoms. There are four shorter (2.96 Å) and four longer (3.06 Å) U–Si bond lengths. There are two inequivalent Ni3+ sites. In the first Ni3+ site, Ni3+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing NiSi4 tetrahedra. All Ni–Si bond lengths are 2.32 Å. In the second Ni3+ site, Ni3+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are four shorter (2.27 Å) and one longer (2.29 Å) Ni–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 3-coordinate geometry to two equivalent U6+, two equivalent Ni3+, and five equivalent Si4- atoms. There are one shorter (2.34 Å) and four longer (2.75 Å) Si–Si bond lengths. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent U6+ and five Ni3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1217005
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; USi3Ni2; Ni-Si-U
OSTI Identifier:
1674695
DOI:
https://doi.org/10.17188/1674695

Citation Formats

The Materials Project. Materials Data on USi3Ni2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1674695.
The Materials Project. Materials Data on USi3Ni2 by Materials Project. United States. doi:https://doi.org/10.17188/1674695
The Materials Project. 2020. "Materials Data on USi3Ni2 by Materials Project". United States. doi:https://doi.org/10.17188/1674695. https://www.osti.gov/servlets/purl/1674695. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1674695,
title = {Materials Data on USi3Ni2 by Materials Project},
author = {The Materials Project},
abstractNote = {UNi2Si3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U6+ is bonded in a 8-coordinate geometry to eight Si4- atoms. There are four shorter (2.96 Å) and four longer (3.06 Å) U–Si bond lengths. There are two inequivalent Ni3+ sites. In the first Ni3+ site, Ni3+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing NiSi4 tetrahedra. All Ni–Si bond lengths are 2.32 Å. In the second Ni3+ site, Ni3+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are four shorter (2.27 Å) and one longer (2.29 Å) Ni–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 3-coordinate geometry to two equivalent U6+, two equivalent Ni3+, and five equivalent Si4- atoms. There are one shorter (2.34 Å) and four longer (2.75 Å) Si–Si bond lengths. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent U6+ and five Ni3+ atoms.},
doi = {10.17188/1674695},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}