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Title: Materials Data on Cr5B3 by Materials Project

Abstract

Cr5B3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Cr sites. In the first Cr site, Cr is bonded in a 5-coordinate geometry to five B atoms. There are a spread of Cr–B bond distances ranging from 2.16–2.27 Å. In the second Cr site, Cr is bonded in a 6-coordinate geometry to six B atoms. There are four shorter (2.18 Å) and two longer (2.49 Å) Cr–B bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a 10-coordinate geometry to ten Cr atoms. In the second B site, B is bonded in a 9-coordinate geometry to eight Cr and one B atom. The B–B bond length is 1.81 Å.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-15617
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; Cr5B3; B-Cr
OSTI Identifier:
1191273
DOI:
10.17188/1191273

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Cr5B3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1191273.
Persson, Kristin, & Project, Materials. Materials Data on Cr5B3 by Materials Project. United States. doi:10.17188/1191273.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Cr5B3 by Materials Project". United States. doi:10.17188/1191273. https://www.osti.gov/servlets/purl/1191273. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1191273,
title = {Materials Data on Cr5B3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Cr5B3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Cr sites. In the first Cr site, Cr is bonded in a 5-coordinate geometry to five B atoms. There are a spread of Cr–B bond distances ranging from 2.16–2.27 Å. In the second Cr site, Cr is bonded in a 6-coordinate geometry to six B atoms. There are four shorter (2.18 Å) and two longer (2.49 Å) Cr–B bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a 10-coordinate geometry to ten Cr atoms. In the second B site, B is bonded in a 9-coordinate geometry to eight Cr and one B atom. The B–B bond length is 1.81 Å.},
doi = {10.17188/1191273},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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