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Title: Materials Data on ErVB4 by Materials Project

Abstract

ErVB4 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 2.61–2.76 Å. V3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of V–B bond distances ranging from 2.28–2.31 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 V3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.81–1.86 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent V3+, and three B+1.50- atoms. There is one shorter (1.76 Å) and one longer (1.78 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent V3+, and three B+1.50- atoms. The B–B bond length is 1.77 Å. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Er3+, four equivalent V3+, and three B+1.50- atoms. The B–B bond length is 1.77 Å.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-10983
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; ErVB4; B-Er-V
OSTI Identifier:
1187496
DOI:
10.17188/1187496

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on ErVB4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187496.
Persson, Kristin, & Project, Materials. Materials Data on ErVB4 by Materials Project. United States. doi:10.17188/1187496.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on ErVB4 by Materials Project". United States. doi:10.17188/1187496. https://www.osti.gov/servlets/purl/1187496. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1187496,
title = {Materials Data on ErVB4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {ErVB4 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 2.61–2.76 Å. V3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of V–B bond distances ranging from 2.28–2.31 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 V3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.81–1.86 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent V3+, and three B+1.50- atoms. There is one shorter (1.76 Å) and one longer (1.78 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent V3+, and three B+1.50- atoms. The B–B bond length is 1.77 Å. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Er3+, four equivalent V3+, and three B+1.50- atoms. The B–B bond length is 1.77 Å.},
doi = {10.17188/1187496},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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