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Title: Materials Data on Cr23C6 by Materials Project

Abstract

Cr23C6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are four inequivalent Cr sites. In the first Cr site, Cr is bonded in a cuboctahedral geometry to twelve equivalent Cr atoms. All Cr–Cr bond lengths are 2.53 Å. In the second Cr site, Cr is bonded in a distorted tetrahedral geometry to four equivalent Cr atoms. All Cr–Cr bond lengths are 2.40 Å. In the third Cr site, Cr is bonded in a distorted trigonal non-coplanar geometry to one Cr and three equivalent C atoms. All Cr–C bond lengths are 2.09 Å. In the fourth Cr site, Cr is bonded in a bent 150 degrees geometry to one Cr and two equivalent C atoms. Both Cr–C bond lengths are 2.12 Å. C is bonded in a 8-coordinate geometry to eight Cr atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-723
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; Cr23C6; C-Cr
OSTI Identifier:
1287577
DOI:
10.17188/1287577

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Cr23C6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287577.
Persson, Kristin, & Project, Materials. Materials Data on Cr23C6 by Materials Project. United States. doi:10.17188/1287577.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Cr23C6 by Materials Project". United States. doi:10.17188/1287577. https://www.osti.gov/servlets/purl/1287577. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1287577,
title = {Materials Data on Cr23C6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Cr23C6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are four inequivalent Cr sites. In the first Cr site, Cr is bonded in a cuboctahedral geometry to twelve equivalent Cr atoms. All Cr–Cr bond lengths are 2.53 Å. In the second Cr site, Cr is bonded in a distorted tetrahedral geometry to four equivalent Cr atoms. All Cr–Cr bond lengths are 2.40 Å. In the third Cr site, Cr is bonded in a distorted trigonal non-coplanar geometry to one Cr and three equivalent C atoms. All Cr–C bond lengths are 2.09 Å. In the fourth Cr site, Cr is bonded in a bent 150 degrees geometry to one Cr and two equivalent C atoms. Both Cr–C bond lengths are 2.12 Å. C is bonded in a 8-coordinate geometry to eight Cr atoms.},
doi = {10.17188/1287577},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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