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Title: Materials Data on IrC4 by Materials Project

Abstract

IrC4 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. Ir4+ is bonded in a 8-coordinate geometry to eight C1- atoms. There are a spread of Ir–C bond distances ranging from 2.11–2.27 Å. There are three inequivalent C1- sites. In the first C1- site, C1- is bonded to two equivalent Ir4+ and two C1- atoms to form a mixture of corner and edge-sharing CIr2C2 tetrahedra. There is one shorter (1.50 Å) and one longer (1.51 Å) C–C bond length. In the second C1- site, C1- is bonded to two equivalent Ir4+ and two equivalent C1- atoms to form a mixture of distorted corner and edge-sharing CIr2C2 tetrahedra. In the third C1- site, C1- is bonded to two equivalent Ir4+ and two equivalent C1- atoms to form a mixture of corner and edge-sharing CIr2C2 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-1104673
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; IrC4; C-Ir
OSTI Identifier:
1672656
DOI:
10.17188/1672656

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on IrC4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672656.
Persson, Kristin, & Project, Materials. Materials Data on IrC4 by Materials Project. United States. doi:10.17188/1672656.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on IrC4 by Materials Project". United States. doi:10.17188/1672656. https://www.osti.gov/servlets/purl/1672656. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1672656,
title = {Materials Data on IrC4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {IrC4 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. Ir4+ is bonded in a 8-coordinate geometry to eight C1- atoms. There are a spread of Ir–C bond distances ranging from 2.11–2.27 Å. There are three inequivalent C1- sites. In the first C1- site, C1- is bonded to two equivalent Ir4+ and two C1- atoms to form a mixture of corner and edge-sharing CIr2C2 tetrahedra. There is one shorter (1.50 Å) and one longer (1.51 Å) C–C bond length. In the second C1- site, C1- is bonded to two equivalent Ir4+ and two equivalent C1- atoms to form a mixture of distorted corner and edge-sharing CIr2C2 tetrahedra. In the third C1- site, C1- is bonded to two equivalent Ir4+ and two equivalent C1- atoms to form a mixture of corner and edge-sharing CIr2C2 tetrahedra.},
doi = {10.17188/1672656},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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