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Title: Materials Data on Th2Si3Ru by Materials Project

Abstract

Th2RuSi3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Th4+ sites. In the first Th4+ site, Th4+ is bonded in a 8-coordinate geometry to eight Si4- atoms. There are a spread of Th–Si bond distances ranging from 3.13–3.24 Å. In the second Th4+ site, Th4+ is bonded in a 10-coordinate geometry to ten Si4- atoms. There are a spread of Th–Si bond distances ranging from 3.15–3.23 Å. Ru4+ is bonded in a trigonal planar geometry to three Si4- atoms. There are one shorter (2.37 Å) and two longer (2.43 Å) Ru–Si bond lengths. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 2-coordinate geometry to six Th4+, two equivalent Ru4+, and one Si4- atom. The Si–Si bond length is 2.37 Å. In the second Si4- site, Si4- is bonded in a 1-coordinate geometry to six Th4+, one Ru4+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.39 Å. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to six Th4+ and three Si4- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1217295
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; Th2Si3Ru; Ru-Si-Th
OSTI Identifier:
1683915
DOI:
https://doi.org/10.17188/1683915

Citation Formats

The Materials Project. Materials Data on Th2Si3Ru by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1683915.
The Materials Project. Materials Data on Th2Si3Ru by Materials Project. United States. doi:https://doi.org/10.17188/1683915
The Materials Project. 2020. "Materials Data on Th2Si3Ru by Materials Project". United States. doi:https://doi.org/10.17188/1683915. https://www.osti.gov/servlets/purl/1683915. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1683915,
title = {Materials Data on Th2Si3Ru by Materials Project},
author = {The Materials Project},
abstractNote = {Th2RuSi3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Th4+ sites. In the first Th4+ site, Th4+ is bonded in a 8-coordinate geometry to eight Si4- atoms. There are a spread of Th–Si bond distances ranging from 3.13–3.24 Å. In the second Th4+ site, Th4+ is bonded in a 10-coordinate geometry to ten Si4- atoms. There are a spread of Th–Si bond distances ranging from 3.15–3.23 Å. Ru4+ is bonded in a trigonal planar geometry to three Si4- atoms. There are one shorter (2.37 Å) and two longer (2.43 Å) Ru–Si bond lengths. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 2-coordinate geometry to six Th4+, two equivalent Ru4+, and one Si4- atom. The Si–Si bond length is 2.37 Å. In the second Si4- site, Si4- is bonded in a 1-coordinate geometry to six Th4+, one Ru4+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.39 Å. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to six Th4+ and three Si4- atoms.},
doi = {10.17188/1683915},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}