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Title: Materials Data on Er3FeB7 by Materials Project

Abstract

Er3FeB7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 11-coordinate geometry to eleven B atoms. There are a spread of Er–B bond distances ranging from 2.59–2.69 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to ten B atoms. There are a spread of Er–B bond distances ranging from 2.61–2.66 Å. Fe is bonded in a 10-coordinate geometry to ten B atoms. All Fe–B bond lengths are 2.26 Å. There are four inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to six Er and three B atoms. There is one shorter (1.88 Å) and two longer (1.94 Å) B–B bond length. In the second B site, B is bonded in a 9-coordinate geometry to four Er, two equivalent Fe, and three B atoms. There is one shorter (1.77 Å) and one longer (1.79 Å) B–B bond length. In the third B site, B is bonded in a 9-coordinate geometry to four equivalent Er, two equivalent Fe, and three B atoms. There is one shorter (1.71 Å) and one longer (1.93more » Å) B–B bond length. In the fourth B site, B is bonded in a 2-coordinate geometry to four equivalent Er, two equivalent Fe, and two equivalent B atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1190715
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; Er3FeB7; B-Er-Fe
OSTI Identifier:
1654885
DOI:
https://doi.org/10.17188/1654885

Citation Formats

The Materials Project. Materials Data on Er3FeB7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1654885.
The Materials Project. Materials Data on Er3FeB7 by Materials Project. United States. doi:https://doi.org/10.17188/1654885
The Materials Project. 2020. "Materials Data on Er3FeB7 by Materials Project". United States. doi:https://doi.org/10.17188/1654885. https://www.osti.gov/servlets/purl/1654885. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1654885,
title = {Materials Data on Er3FeB7 by Materials Project},
author = {The Materials Project},
abstractNote = {Er3FeB7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 11-coordinate geometry to eleven B atoms. There are a spread of Er–B bond distances ranging from 2.59–2.69 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to ten B atoms. There are a spread of Er–B bond distances ranging from 2.61–2.66 Å. Fe is bonded in a 10-coordinate geometry to ten B atoms. All Fe–B bond lengths are 2.26 Å. There are four inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to six Er and three B atoms. There is one shorter (1.88 Å) and two longer (1.94 Å) B–B bond length. In the second B site, B is bonded in a 9-coordinate geometry to four Er, two equivalent Fe, and three B atoms. There is one shorter (1.77 Å) and one longer (1.79 Å) B–B bond length. In the third B site, B is bonded in a 9-coordinate geometry to four equivalent Er, two equivalent Fe, and three B atoms. There is one shorter (1.71 Å) and one longer (1.93 Å) B–B bond length. In the fourth B site, B is bonded in a 2-coordinate geometry to four equivalent Er, two equivalent Fe, and two equivalent B atoms.},
doi = {10.17188/1654885},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}