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Title: Materials Data on Er2Co7B3 by Materials Project

Abstract

Er2Co7B3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a distorted hexagonal planar geometry to six equivalent Co atoms. All Er–Co bond lengths are 2.88 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to two equivalent Er, twelve equivalent Co, and six equivalent B atoms. Both Er–Er bond lengths are 3.06 Å. All Er–Co bond lengths are 2.90 Å. All Er–B bond lengths are 2.88 Å. In the third Er site, Er is bonded in a 6-coordinate geometry to one Er, twelve Co, and six equivalent B atoms. There are six shorter (2.84 Å) and six longer (2.96 Å) Er–Co bond lengths. All Er–B bond lengths are 2.89 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Er and six equivalent Co atoms. All Co–Co bond lengths are 2.45 Å. In the second Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Er, two equivalent Co, and two equivalent B atoms. Both Co–B bond lengths are 2.05 Å. In themore » third Co site, Co is bonded in a distorted square co-planar geometry to four Er and four B atoms. There are two shorter (2.06 Å) and two longer (2.07 Å) Co–B bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent Er and six equivalent Co atoms. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Er and six Co atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1190704
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; Er2Co7B3; B-Co-Er
OSTI Identifier:
1748895
DOI:
https://doi.org/10.17188/1748895

Citation Formats

The Materials Project. Materials Data on Er2Co7B3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748895.
The Materials Project. Materials Data on Er2Co7B3 by Materials Project. United States. doi:https://doi.org/10.17188/1748895
The Materials Project. 2020. "Materials Data on Er2Co7B3 by Materials Project". United States. doi:https://doi.org/10.17188/1748895. https://www.osti.gov/servlets/purl/1748895. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1748895,
title = {Materials Data on Er2Co7B3 by Materials Project},
author = {The Materials Project},
abstractNote = {Er2Co7B3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a distorted hexagonal planar geometry to six equivalent Co atoms. All Er–Co bond lengths are 2.88 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to two equivalent Er, twelve equivalent Co, and six equivalent B atoms. Both Er–Er bond lengths are 3.06 Å. All Er–Co bond lengths are 2.90 Å. All Er–B bond lengths are 2.88 Å. In the third Er site, Er is bonded in a 6-coordinate geometry to one Er, twelve Co, and six equivalent B atoms. There are six shorter (2.84 Å) and six longer (2.96 Å) Er–Co bond lengths. All Er–B bond lengths are 2.89 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Er and six equivalent Co atoms. All Co–Co bond lengths are 2.45 Å. In the second Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Er, two equivalent Co, and two equivalent B atoms. Both Co–B bond lengths are 2.05 Å. In the third Co site, Co is bonded in a distorted square co-planar geometry to four Er and four B atoms. There are two shorter (2.06 Å) and two longer (2.07 Å) Co–B bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent Er and six equivalent Co atoms. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Er and six Co atoms.},
doi = {10.17188/1748895},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}