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Title: Materials Data on ErCrB4 by Materials Project

Abstract

ErCrB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Er3+ is bonded in a 4-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Er–B bond distances ranging from 2.58–2.72 Å. Cr3+ is bonded in a 10-coordinate geometry to one Cr3+ and ten B+1.50- atoms. The Cr–Cr bond length is 2.36 Å. There are a spread of Cr–B bond distances ranging from 2.24–2.30 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent Cr3+, and three B+1.50- atoms. There is one shorter (1.73 Å) and two longer (1.81 Å) B–B bond length. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent Cr3+, and three B+1.50- atoms. The B–B bond length is 1.79 Å. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent Cr3+, and three B+1.50- atoms. There is one shorter (1.73 Å) and one longer (1.77 Å) B–B bond length. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Er3+, four equivalent Cr3+, and three B+1.50-more » atoms. The B–B bond length is 1.71 Å.« less

Publication Date:
Other Number(s):
mp-985700
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; ErCrB4; B-Cr-Er
OSTI Identifier:
1316743
DOI:
10.17188/1316743

Citation Formats

The Materials Project. Materials Data on ErCrB4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316743.
The Materials Project. Materials Data on ErCrB4 by Materials Project. United States. doi:10.17188/1316743.
The Materials Project. 2020. "Materials Data on ErCrB4 by Materials Project". United States. doi:10.17188/1316743. https://www.osti.gov/servlets/purl/1316743. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1316743,
title = {Materials Data on ErCrB4 by Materials Project},
author = {The Materials Project},
abstractNote = {ErCrB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Er3+ is bonded in a 4-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Er–B bond distances ranging from 2.58–2.72 Å. Cr3+ is bonded in a 10-coordinate geometry to one Cr3+ and ten B+1.50- atoms. The Cr–Cr bond length is 2.36 Å. There are a spread of Cr–B bond distances ranging from 2.24–2.30 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent Cr3+, and three B+1.50- atoms. There is one shorter (1.73 Å) and two longer (1.81 Å) B–B bond length. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent Cr3+, and three B+1.50- atoms. The B–B bond length is 1.79 Å. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent Cr3+, and three B+1.50- atoms. There is one shorter (1.73 Å) and one longer (1.77 Å) B–B bond length. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Er3+, four equivalent Cr3+, and three B+1.50- atoms. The B–B bond length is 1.71 Å.},
doi = {10.17188/1316743},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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