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Title: Materials Data on Tb2Zn17 by Materials Project

Abstract

Tb2Zn17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 8-coordinate geometry to twenty Zn atoms. There are a spread of Tb–Zn bond distances ranging from 3.09–3.40 Å. In the second Tb site, Tb is bonded in a 12-coordinate geometry to eighteen Zn atoms. There are a spread of Tb–Zn bond distances ranging from 3.14–3.46 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to three Tb and nine Zn atoms to form distorted ZnTb3Zn9 cuboctahedra that share corners with twenty-three ZnTb2Zn10 cuboctahedra, edges with ten ZnTb2Zn10 cuboctahedra, and faces with twenty ZnTb3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.54–2.88 Å. In the second Zn site, Zn is bonded in a 2-coordinate geometry to one Tb and thirteen Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.61–2.97 Å. In the third Zn site, Zn is bonded to two equivalent Tb and ten Zn atoms to form ZnTb2Zn10 cuboctahedra that share corners with twenty-two ZnTb2Zn10 cuboctahedra, edges with ten ZnTb2Zn10 cuboctahedra, and faces with eighteen ZnTb3Zn9 cuboctahedra. Allmore » Zn–Zn bond lengths are 2.60 Å. In the fourth Zn site, Zn is bonded to two Tb and ten Zn atoms to form distorted ZnTb2Zn10 cuboctahedra that share corners with twenty-four ZnTb3Zn9 cuboctahedra, edges with five ZnTb2Zn10 cuboctahedra, and faces with twenty-one ZnTb3Zn9 cuboctahedra. There are one shorter (2.61 Å) and one longer (2.73 Å) Zn–Zn bond lengths.« less

Authors:
Publication Date:
Other Number(s):
mp-30880
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; Tb2Zn17; Tb-Zn
OSTI Identifier:
1205234
DOI:
https://doi.org/10.17188/1205234

Citation Formats

The Materials Project. Materials Data on Tb2Zn17 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205234.
The Materials Project. Materials Data on Tb2Zn17 by Materials Project. United States. doi:https://doi.org/10.17188/1205234
The Materials Project. 2020. "Materials Data on Tb2Zn17 by Materials Project". United States. doi:https://doi.org/10.17188/1205234. https://www.osti.gov/servlets/purl/1205234. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1205234,
title = {Materials Data on Tb2Zn17 by Materials Project},
author = {The Materials Project},
abstractNote = {Tb2Zn17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 8-coordinate geometry to twenty Zn atoms. There are a spread of Tb–Zn bond distances ranging from 3.09–3.40 Å. In the second Tb site, Tb is bonded in a 12-coordinate geometry to eighteen Zn atoms. There are a spread of Tb–Zn bond distances ranging from 3.14–3.46 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to three Tb and nine Zn atoms to form distorted ZnTb3Zn9 cuboctahedra that share corners with twenty-three ZnTb2Zn10 cuboctahedra, edges with ten ZnTb2Zn10 cuboctahedra, and faces with twenty ZnTb3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.54–2.88 Å. In the second Zn site, Zn is bonded in a 2-coordinate geometry to one Tb and thirteen Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.61–2.97 Å. In the third Zn site, Zn is bonded to two equivalent Tb and ten Zn atoms to form ZnTb2Zn10 cuboctahedra that share corners with twenty-two ZnTb2Zn10 cuboctahedra, edges with ten ZnTb2Zn10 cuboctahedra, and faces with eighteen ZnTb3Zn9 cuboctahedra. All Zn–Zn bond lengths are 2.60 Å. In the fourth Zn site, Zn is bonded to two Tb and ten Zn atoms to form distorted ZnTb2Zn10 cuboctahedra that share corners with twenty-four ZnTb3Zn9 cuboctahedra, edges with five ZnTb2Zn10 cuboctahedra, and faces with twenty-one ZnTb3Zn9 cuboctahedra. There are one shorter (2.61 Å) and one longer (2.73 Å) Zn–Zn bond lengths.},
doi = {10.17188/1205234},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}