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Title: Materials Data on Ce3Co11B4 by Materials Project

Abstract

Ce3Co11B4 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 6-coordinate geometry to twelve Co and six equivalent B atoms. There are six shorter (2.84 Å) and six longer (2.97 Å) Ce–Co bond lengths. All Ce–B bond lengths are 2.90 Å. In the second Ce site, Ce is bonded in a distorted hexagonal planar geometry to six equivalent Co atoms. All Ce–Co bond lengths are 2.90 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Ce and six equivalent Co atoms. All Co–Co bond lengths are 2.49 Å. In the second Co site, Co is bonded in a distorted square co-planar geometry to four equivalent Ce and four equivalent B atoms. All Co–B bond lengths are 2.07 Å. In the third Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Ce, two equivalent Co, and two equivalent B atoms. Both Co–B bond lengths are 2.04 Å. B is bonded in a 6-coordinate geometry to three equivalent Ce and six Co atoms.

Authors:
Publication Date:
Other Number(s):
mp-13765
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; Ce3Co11B4; B-Ce-Co
OSTI Identifier:
1189744
DOI:
https://doi.org/10.17188/1189744

Citation Formats

The Materials Project. Materials Data on Ce3Co11B4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189744.
The Materials Project. Materials Data on Ce3Co11B4 by Materials Project. United States. doi:https://doi.org/10.17188/1189744
The Materials Project. 2020. "Materials Data on Ce3Co11B4 by Materials Project". United States. doi:https://doi.org/10.17188/1189744. https://www.osti.gov/servlets/purl/1189744. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1189744,
title = {Materials Data on Ce3Co11B4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce3Co11B4 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 6-coordinate geometry to twelve Co and six equivalent B atoms. There are six shorter (2.84 Å) and six longer (2.97 Å) Ce–Co bond lengths. All Ce–B bond lengths are 2.90 Å. In the second Ce site, Ce is bonded in a distorted hexagonal planar geometry to six equivalent Co atoms. All Ce–Co bond lengths are 2.90 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Ce and six equivalent Co atoms. All Co–Co bond lengths are 2.49 Å. In the second Co site, Co is bonded in a distorted square co-planar geometry to four equivalent Ce and four equivalent B atoms. All Co–B bond lengths are 2.07 Å. In the third Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Ce, two equivalent Co, and two equivalent B atoms. Both Co–B bond lengths are 2.04 Å. B is bonded in a 6-coordinate geometry to three equivalent Ce and six Co atoms.},
doi = {10.17188/1189744},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 17 00:00:00 EDT 2020},
month = {Fri Jul 17 00:00:00 EDT 2020}
}