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Title: Materials Data on Tb(Zn10Fe)2 by Materials Project

Abstract

Tb(FeZn10)2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Tb is bonded in a 4-coordinate geometry to sixteen Zn atoms. There are four shorter (3.05 Å) and twelve longer (3.13 Å) Tb–Zn bond lengths. Fe is bonded to twelve Zn atoms to form FeZn12 cuboctahedra that share corners with six equivalent FeZn12 cuboctahedra, edges with eighteen equivalent ZnTbZn10Fe cuboctahedra, and faces with six equivalent ZnTbZn10Fe cuboctahedra. There are six shorter (2.49 Å) and six longer (2.70 Å) Fe–Zn bond lengths. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 2-coordinate geometry to two equivalent Fe and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.64–2.76 Å. In the second Zn site, Zn is bonded in a distorted linear geometry to two equivalent Tb and twelve equivalent Zn atoms. All Zn–Zn bond lengths are 3.02 Å. In the third Zn site, Zn is bonded to one Tb, one Fe, and ten Zn atoms to form distorted ZnTbZn10Fe cuboctahedra that share corners with fifteen equivalent ZnTbZn10Fe cuboctahedra, edges with two equivalent ZnTbZn10Fe cuboctahedra, edges with three equivalent FeZn12 cuboctahedra, a faceface with one FeZn12 cuboctahedra, and facesmore » with fifteen equivalent ZnTbZn10Fe cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.64–2.81 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-12817
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; Tb(Zn10Fe)2; Fe-Tb-Zn
OSTI Identifier:
1189214
DOI:
https://doi.org/10.17188/1189214

Citation Formats

The Materials Project. Materials Data on Tb(Zn10Fe)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189214.
The Materials Project. Materials Data on Tb(Zn10Fe)2 by Materials Project. United States. doi:https://doi.org/10.17188/1189214
The Materials Project. 2020. "Materials Data on Tb(Zn10Fe)2 by Materials Project". United States. doi:https://doi.org/10.17188/1189214. https://www.osti.gov/servlets/purl/1189214. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1189214,
title = {Materials Data on Tb(Zn10Fe)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Tb(FeZn10)2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Tb is bonded in a 4-coordinate geometry to sixteen Zn atoms. There are four shorter (3.05 Å) and twelve longer (3.13 Å) Tb–Zn bond lengths. Fe is bonded to twelve Zn atoms to form FeZn12 cuboctahedra that share corners with six equivalent FeZn12 cuboctahedra, edges with eighteen equivalent ZnTbZn10Fe cuboctahedra, and faces with six equivalent ZnTbZn10Fe cuboctahedra. There are six shorter (2.49 Å) and six longer (2.70 Å) Fe–Zn bond lengths. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 2-coordinate geometry to two equivalent Fe and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.64–2.76 Å. In the second Zn site, Zn is bonded in a distorted linear geometry to two equivalent Tb and twelve equivalent Zn atoms. All Zn–Zn bond lengths are 3.02 Å. In the third Zn site, Zn is bonded to one Tb, one Fe, and ten Zn atoms to form distorted ZnTbZn10Fe cuboctahedra that share corners with fifteen equivalent ZnTbZn10Fe cuboctahedra, edges with two equivalent ZnTbZn10Fe cuboctahedra, edges with three equivalent FeZn12 cuboctahedra, a faceface with one FeZn12 cuboctahedra, and faces with fifteen equivalent ZnTbZn10Fe cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.64–2.81 Å.},
doi = {10.17188/1189214},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}