skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Er2Co12Ni5 by Materials Project

Abstract

Er2Co12Ni5 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 12-coordinate geometry to eighteen Co atoms. There are a spread of Er–Co bond distances ranging from 2.93–3.21 Å. In the second Er site, Er is bonded in a 2-coordinate geometry to twelve Co and eight Ni atoms. There are six shorter (3.01 Å) and six longer (3.05 Å) Er–Co bond lengths. There are two shorter (2.81 Å) and six longer (3.13 Å) Er–Ni bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded to two Er, six Co, and four Ni atoms to form distorted CoEr2Co6Ni4 cuboctahedra that share corners with four equivalent NiEr2Co8Ni2 cuboctahedra, corners with twenty CoEr2Co6Ni4 cuboctahedra, edges with two equivalent NiEr2Co8Ni2 cuboctahedra, edges with three CoEr3Co6Ni3 cuboctahedra, faces with four equivalent NiEr2Co8Ni2 cuboctahedra, and faces with seventeen CoEr2Co6Ni4 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.30–2.53 Å. There are two shorter (2.39 Å) and two longer (2.68 Å) Co–Ni bond lengths. In the second Co site, Co is bonded to three Er, six Co, and three Ni atomsmore » to form distorted CoEr3Co6Ni3 cuboctahedra that share corners with five equivalent NiEr2Co8Ni2 cuboctahedra, corners with eighteen CoEr3Co6Ni3 cuboctahedra, edges with three equivalent NiEr2Co8Ni2 cuboctahedra, edges with seven CoEr3Co6Ni3 cuboctahedra, faces with two equivalent NiEr2Co8Ni2 cuboctahedra, and faces with eighteen CoEr2Co6Ni4 cuboctahedra. Both Co–Co bond lengths are 2.36 Å. There are two shorter (2.43 Å) and one longer (2.65 Å) Co–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to two equivalent Er, eight Co, and two equivalent Ni atoms to form NiEr2Co8Ni2 cuboctahedra that share corners with four equivalent NiEr2Co8Ni2 cuboctahedra, corners with eighteen CoEr3Co6Ni3 cuboctahedra, edges with ten CoEr3Co6Ni3 cuboctahedra, faces with six equivalent NiEr2Co8Ni2 cuboctahedra, and faces with twelve CoEr2Co6Ni4 cuboctahedra. Both Ni–Ni bond lengths are 2.52 Å. In the second Ni site, Ni is bonded in a 1-coordinate geometry to one Er, nine Co, and four Ni atoms. The Ni–Ni bond length is 2.43 Å.« less

Publication Date:
Other Number(s):
mp-1203663
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; Er2Co12Ni5; Co-Er-Ni
OSTI Identifier:
1665749
DOI:
https://doi.org/10.17188/1665749

Citation Formats

The Materials Project. Materials Data on Er2Co12Ni5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1665749.
The Materials Project. Materials Data on Er2Co12Ni5 by Materials Project. United States. doi:https://doi.org/10.17188/1665749
The Materials Project. 2020. "Materials Data on Er2Co12Ni5 by Materials Project". United States. doi:https://doi.org/10.17188/1665749. https://www.osti.gov/servlets/purl/1665749. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1665749,
title = {Materials Data on Er2Co12Ni5 by Materials Project},
author = {The Materials Project},
abstractNote = {Er2Co12Ni5 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 12-coordinate geometry to eighteen Co atoms. There are a spread of Er–Co bond distances ranging from 2.93–3.21 Å. In the second Er site, Er is bonded in a 2-coordinate geometry to twelve Co and eight Ni atoms. There are six shorter (3.01 Å) and six longer (3.05 Å) Er–Co bond lengths. There are two shorter (2.81 Å) and six longer (3.13 Å) Er–Ni bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded to two Er, six Co, and four Ni atoms to form distorted CoEr2Co6Ni4 cuboctahedra that share corners with four equivalent NiEr2Co8Ni2 cuboctahedra, corners with twenty CoEr2Co6Ni4 cuboctahedra, edges with two equivalent NiEr2Co8Ni2 cuboctahedra, edges with three CoEr3Co6Ni3 cuboctahedra, faces with four equivalent NiEr2Co8Ni2 cuboctahedra, and faces with seventeen CoEr2Co6Ni4 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.30–2.53 Å. There are two shorter (2.39 Å) and two longer (2.68 Å) Co–Ni bond lengths. In the second Co site, Co is bonded to three Er, six Co, and three Ni atoms to form distorted CoEr3Co6Ni3 cuboctahedra that share corners with five equivalent NiEr2Co8Ni2 cuboctahedra, corners with eighteen CoEr3Co6Ni3 cuboctahedra, edges with three equivalent NiEr2Co8Ni2 cuboctahedra, edges with seven CoEr3Co6Ni3 cuboctahedra, faces with two equivalent NiEr2Co8Ni2 cuboctahedra, and faces with eighteen CoEr2Co6Ni4 cuboctahedra. Both Co–Co bond lengths are 2.36 Å. There are two shorter (2.43 Å) and one longer (2.65 Å) Co–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to two equivalent Er, eight Co, and two equivalent Ni atoms to form NiEr2Co8Ni2 cuboctahedra that share corners with four equivalent NiEr2Co8Ni2 cuboctahedra, corners with eighteen CoEr3Co6Ni3 cuboctahedra, edges with ten CoEr3Co6Ni3 cuboctahedra, faces with six equivalent NiEr2Co8Ni2 cuboctahedra, and faces with twelve CoEr2Co6Ni4 cuboctahedra. Both Ni–Ni bond lengths are 2.52 Å. In the second Ni site, Ni is bonded in a 1-coordinate geometry to one Er, nine Co, and four Ni atoms. The Ni–Ni bond length is 2.43 Å.},
doi = {10.17188/1665749},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}