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Title: Materials Data on Er12Co7 by Materials Project

Abstract

Er12Co7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are six inequivalent Er sites. In the first Er site, Er is bonded in a 5-coordinate geometry to five Co atoms. There are a spread of Er–Co bond distances ranging from 2.85–3.08 Å. In the second Er site, Er is bonded in a 4-coordinate geometry to four Co atoms. There are a spread of Er–Co bond distances ranging from 2.74–2.92 Å. In the third Er site, Er is bonded in a 4-coordinate geometry to five Co atoms. There are a spread of Er–Co bond distances ranging from 2.78–3.43 Å. In the fourth Er site, Er is bonded in a 5-coordinate geometry to five Co atoms. There are a spread of Er–Co bond distances ranging from 2.79–3.33 Å. In the fifth Er site, Er is bonded to five Co atoms to form distorted corner-sharing ErCo5 tetrahedra. There are a spread of Er–Co bond distances ranging from 2.71–3.50 Å. In the sixth Er site, Er is bonded in a 5-coordinate geometry to five Co atoms. There are a spread of Er–Co bond distances ranging from 2.72–3.09 Å. There are four inequivalent Co sites. In the first Co site, Comore » is bonded in a 9-coordinate geometry to eight Er and one Co atom. The Co–Co bond length is 2.31 Å. In the second Co site, Co is bonded in a body-centered cubic geometry to eight Er atoms. In the third Co site, Co is bonded in a 10-coordinate geometry to nine Er and one Co atom. In the fourth Co site, Co is bonded in a 8-coordinate geometry to eight Er atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-30970
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; Er12Co7; Co-Er
OSTI Identifier:
1205306
DOI:
https://doi.org/10.17188/1205306

Citation Formats

The Materials Project. Materials Data on Er12Co7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205306.
The Materials Project. Materials Data on Er12Co7 by Materials Project. United States. doi:https://doi.org/10.17188/1205306
The Materials Project. 2020. "Materials Data on Er12Co7 by Materials Project". United States. doi:https://doi.org/10.17188/1205306. https://www.osti.gov/servlets/purl/1205306. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1205306,
title = {Materials Data on Er12Co7 by Materials Project},
author = {The Materials Project},
abstractNote = {Er12Co7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are six inequivalent Er sites. In the first Er site, Er is bonded in a 5-coordinate geometry to five Co atoms. There are a spread of Er–Co bond distances ranging from 2.85–3.08 Å. In the second Er site, Er is bonded in a 4-coordinate geometry to four Co atoms. There are a spread of Er–Co bond distances ranging from 2.74–2.92 Å. In the third Er site, Er is bonded in a 4-coordinate geometry to five Co atoms. There are a spread of Er–Co bond distances ranging from 2.78–3.43 Å. In the fourth Er site, Er is bonded in a 5-coordinate geometry to five Co atoms. There are a spread of Er–Co bond distances ranging from 2.79–3.33 Å. In the fifth Er site, Er is bonded to five Co atoms to form distorted corner-sharing ErCo5 tetrahedra. There are a spread of Er–Co bond distances ranging from 2.71–3.50 Å. In the sixth Er site, Er is bonded in a 5-coordinate geometry to five Co atoms. There are a spread of Er–Co bond distances ranging from 2.72–3.09 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to eight Er and one Co atom. The Co–Co bond length is 2.31 Å. In the second Co site, Co is bonded in a body-centered cubic geometry to eight Er atoms. In the third Co site, Co is bonded in a 10-coordinate geometry to nine Er and one Co atom. In the fourth Co site, Co is bonded in a 8-coordinate geometry to eight Er atoms.},
doi = {10.17188/1205306},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}