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Title: Materials Data on USi2RuRh by Materials Project

Abstract

URuRhSi2 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. U3+ is bonded to eight equivalent Si4- atoms to form USi8 hexagonal bipyramids that share corners with eight equivalent RuSi4 tetrahedra, corners with eight equivalent RhSi4 tetrahedra, edges with four equivalent USi8 hexagonal bipyramids, edges with four equivalent RuSi4 tetrahedra, edges with four equivalent RhSi4 tetrahedra, and faces with four equivalent USi8 hexagonal bipyramids. All U–Si bond lengths are 3.14 Å. Ru2+ is bonded to four equivalent Si4- atoms to form RuSi4 tetrahedra that share corners with eight equivalent USi8 hexagonal bipyramids, corners with four equivalent RuSi4 tetrahedra, edges with four equivalent USi8 hexagonal bipyramids, and edges with four equivalent RhSi4 tetrahedra. All Ru–Si bond lengths are 2.41 Å. Rh3+ is bonded to four equivalent Si4- atoms to form RhSi4 tetrahedra that share corners with eight equivalent USi8 hexagonal bipyramids, corners with four equivalent RhSi4 tetrahedra, edges with four equivalent USi8 hexagonal bipyramids, and edges with four equivalent RuSi4 tetrahedra. All Rh–Si bond lengths are 2.41 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent U3+, two equivalent Ru2+, two equivalent Rh3+, and one Si4- atom. The Si–Si bond length is 2.40 Å.

Publication Date:
Other Number(s):
mp-1216552
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; USi2RuRh; Rh-Ru-Si-U
OSTI Identifier:
1652736
DOI:
https://doi.org/10.17188/1652736

Citation Formats

The Materials Project. Materials Data on USi2RuRh by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1652736.
The Materials Project. Materials Data on USi2RuRh by Materials Project. United States. doi:https://doi.org/10.17188/1652736
The Materials Project. 2020. "Materials Data on USi2RuRh by Materials Project". United States. doi:https://doi.org/10.17188/1652736. https://www.osti.gov/servlets/purl/1652736. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1652736,
title = {Materials Data on USi2RuRh by Materials Project},
author = {The Materials Project},
abstractNote = {URuRhSi2 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. U3+ is bonded to eight equivalent Si4- atoms to form USi8 hexagonal bipyramids that share corners with eight equivalent RuSi4 tetrahedra, corners with eight equivalent RhSi4 tetrahedra, edges with four equivalent USi8 hexagonal bipyramids, edges with four equivalent RuSi4 tetrahedra, edges with four equivalent RhSi4 tetrahedra, and faces with four equivalent USi8 hexagonal bipyramids. All U–Si bond lengths are 3.14 Å. Ru2+ is bonded to four equivalent Si4- atoms to form RuSi4 tetrahedra that share corners with eight equivalent USi8 hexagonal bipyramids, corners with four equivalent RuSi4 tetrahedra, edges with four equivalent USi8 hexagonal bipyramids, and edges with four equivalent RhSi4 tetrahedra. All Ru–Si bond lengths are 2.41 Å. Rh3+ is bonded to four equivalent Si4- atoms to form RhSi4 tetrahedra that share corners with eight equivalent USi8 hexagonal bipyramids, corners with four equivalent RhSi4 tetrahedra, edges with four equivalent USi8 hexagonal bipyramids, and edges with four equivalent RuSi4 tetrahedra. All Rh–Si bond lengths are 2.41 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent U3+, two equivalent Ru2+, two equivalent Rh3+, and one Si4- atom. The Si–Si bond length is 2.40 Å.},
doi = {10.17188/1652736},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}