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Title: Materials Data on Er4CoB13 by Materials Project

Abstract

Er4CoB13 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Er3+ is bonded in a 6-coordinate geometry to fifteen B+1.15- atoms. There are a spread of Er–B bond distances ranging from 2.55–2.89 Å. Co3+ is bonded in a 8-coordinate geometry to eight equivalent B+1.15- atoms. All Co–B bond lengths are 2.15 Å. There are three inequivalent B+1.15- sites. In the first B+1.15- site, B+1.15- is bonded in a cuboctahedral geometry to four equivalent Er3+ and eight equivalent B+1.15- atoms. All B–B bond lengths are 2.11 Å. In the second B+1.15- site, B+1.15- is bonded in a 3-coordinate geometry to six equivalent Er3+ and three B+1.15- atoms. There is two shorter (1.78 Å) and one longer (1.87 Å) B–B bond length. In the third B+1.15- site, B+1.15- is bonded in a 9-coordinate geometry to four equivalent Er3+, one Co3+, and four B+1.15- atoms. Both B–B bond lengths are 1.80 Å.

Publication Date:
Other Number(s):
mp-1202869
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; Er4CoB13; B-Co-Er
OSTI Identifier:
1677919
DOI:
https://doi.org/10.17188/1677919

Citation Formats

The Materials Project. Materials Data on Er4CoB13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1677919.
The Materials Project. Materials Data on Er4CoB13 by Materials Project. United States. doi:https://doi.org/10.17188/1677919
The Materials Project. 2020. "Materials Data on Er4CoB13 by Materials Project". United States. doi:https://doi.org/10.17188/1677919. https://www.osti.gov/servlets/purl/1677919. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1677919,
title = {Materials Data on Er4CoB13 by Materials Project},
author = {The Materials Project},
abstractNote = {Er4CoB13 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Er3+ is bonded in a 6-coordinate geometry to fifteen B+1.15- atoms. There are a spread of Er–B bond distances ranging from 2.55–2.89 Å. Co3+ is bonded in a 8-coordinate geometry to eight equivalent B+1.15- atoms. All Co–B bond lengths are 2.15 Å. There are three inequivalent B+1.15- sites. In the first B+1.15- site, B+1.15- is bonded in a cuboctahedral geometry to four equivalent Er3+ and eight equivalent B+1.15- atoms. All B–B bond lengths are 2.11 Å. In the second B+1.15- site, B+1.15- is bonded in a 3-coordinate geometry to six equivalent Er3+ and three B+1.15- atoms. There is two shorter (1.78 Å) and one longer (1.87 Å) B–B bond length. In the third B+1.15- site, B+1.15- is bonded in a 9-coordinate geometry to four equivalent Er3+, one Co3+, and four B+1.15- atoms. Both B–B bond lengths are 1.80 Å.},
doi = {10.17188/1677919},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}