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Title: Materials Data on Ce2Co7B3 by Materials Project

Abstract

Ce2Co7B3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first 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. In the second Ce site, Ce is bonded in a 12-coordinate geometry to twelve equivalent Co and six equivalent B atoms. All Ce–Co bond lengths are 2.92 Å. All Ce–B bond lengths are 2.90 Å. In the third Ce site, Ce is bonded in a 6-coordinate geometry to twelve Co and six equivalent B atoms. There are six shorter (2.83 Å) and six longer (2.99 Å) Ce–Co bond lengths. All Ce–B 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 L-shaped geometry to two equivalent Ce, two equivalent Co, and two equivalent B atoms. Both Co–B bond lengths are 2.05 Å. In the third Co site, Co is bonded in a distorted square co-planar geometrymore » to four Ce and four B atoms. All Co–B bond lengths are 2.08 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent Ce and six equivalent Co atoms. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Ce and six Co atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-504616
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; Ce2Co7B3; B-Ce-Co
OSTI Identifier:
1261837
DOI:
10.17188/1261837

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ce2Co7B3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1261837.
Persson, Kristin, & Project, Materials. Materials Data on Ce2Co7B3 by Materials Project. United States. doi:10.17188/1261837.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ce2Co7B3 by Materials Project". United States. doi:10.17188/1261837. https://www.osti.gov/servlets/purl/1261837. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1261837,
title = {Materials Data on Ce2Co7B3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ce2Co7B3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first 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. In the second Ce site, Ce is bonded in a 12-coordinate geometry to twelve equivalent Co and six equivalent B atoms. All Ce–Co bond lengths are 2.92 Å. All Ce–B bond lengths are 2.90 Å. In the third Ce site, Ce is bonded in a 6-coordinate geometry to twelve Co and six equivalent B atoms. There are six shorter (2.83 Å) and six longer (2.99 Å) Ce–Co bond lengths. All Ce–B 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 L-shaped geometry to two equivalent Ce, two equivalent Co, and two equivalent B atoms. Both Co–B bond lengths are 2.05 Å. In the third Co site, Co is bonded in a distorted square co-planar geometry to four Ce and four B atoms. All Co–B bond lengths are 2.08 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent Ce and six equivalent Co atoms. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Ce and six Co atoms.},
doi = {10.17188/1261837},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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