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Title: Materials Data on Th2Si3Ir by Materials Project

Abstract

Th2IrSi3 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 six shorter (3.16 Å) and two longer (3.17 Å) Th–Si bond lengths. In the second Th4+ site, Th4+ is bonded in a 10-coordinate geometry to ten Si4- atoms. There are eight shorter (3.18 Å) and two longer (3.21 Å) Th–Si bond lengths. Ir4+ is bonded in a trigonal planar geometry to three Si4- atoms. There are one shorter (2.38 Å) and two longer (2.41 Å) Ir–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 Ir4+, and one Si4- atom. The Si–Si bond length is 2.38 Å. In the second Si4- site, Si4- is bonded in a 1-coordinate geometry to six Th4+, one Ir4+, 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.

Publication Date:
Other Number(s):
mp-1217279
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; Th2Si3Ir; Ir-Si-Th
OSTI Identifier:
1707362
DOI:
https://doi.org/10.17188/1707362

Citation Formats

The Materials Project. Materials Data on Th2Si3Ir by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1707362.
The Materials Project. Materials Data on Th2Si3Ir by Materials Project. United States. doi:https://doi.org/10.17188/1707362
The Materials Project. 2020. "Materials Data on Th2Si3Ir by Materials Project". United States. doi:https://doi.org/10.17188/1707362. https://www.osti.gov/servlets/purl/1707362. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1707362,
title = {Materials Data on Th2Si3Ir by Materials Project},
author = {The Materials Project},
abstractNote = {Th2IrSi3 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 six shorter (3.16 Å) and two longer (3.17 Å) Th–Si bond lengths. In the second Th4+ site, Th4+ is bonded in a 10-coordinate geometry to ten Si4- atoms. There are eight shorter (3.18 Å) and two longer (3.21 Å) Th–Si bond lengths. Ir4+ is bonded in a trigonal planar geometry to three Si4- atoms. There are one shorter (2.38 Å) and two longer (2.41 Å) Ir–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 Ir4+, and one Si4- atom. The Si–Si bond length is 2.38 Å. In the second Si4- site, Si4- is bonded in a 1-coordinate geometry to six Th4+, one Ir4+, 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 = {10.17188/1707362},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}