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Title: Materials Data on Tm2Zn17 by Materials Project

Abstract

Tm2Zn17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tm is bonded in a 10-coordinate geometry to nineteen Zn atoms. There are a spread of Tm–Zn bond distances ranging from 3.09–3.45 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to three equivalent Tm and nine Zn atoms to form distorted ZnTm3Zn9 cuboctahedra that share corners with twenty-three ZnTm2Zn10 cuboctahedra, edges with ten ZnTm2Zn10 cuboctahedra, and faces with twenty ZnTm3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.53–2.86 Å. In the second Zn site, Zn is bonded in a 2-coordinate geometry to one Tm and thirteen Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.65–2.98 Å. In the third Zn site, Zn is bonded to two equivalent Tm and ten Zn atoms to form ZnTm2Zn10 cuboctahedra that share corners with twenty-two ZnTm2Zn10 cuboctahedra, edges with ten ZnTm2Zn10 cuboctahedra, and faces with eighteen ZnTm3Zn9 cuboctahedra. All Zn–Zn bond lengths are 2.59 Å. In the fourth Zn site, Zn is bonded to two equivalent Tm and ten Zn atoms to form distorted ZnTm2Zn10 cuboctahedra that share corners with twenty-four ZnTm2Zn10 cuboctahedra, edges with five ZnTm2Zn10more » cuboctahedra, and faces with twenty-one ZnTm3Zn9 cuboctahedra. Both Zn–Zn bond lengths are 2.67 Å.« less

Publication Date:
Other Number(s):
mp-30714
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; Tm2Zn17; Tm-Zn
OSTI Identifier:
1205074
DOI:
10.17188/1205074

Citation Formats

The Materials Project. Materials Data on Tm2Zn17 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205074.
The Materials Project. Materials Data on Tm2Zn17 by Materials Project. United States. doi:10.17188/1205074.
The Materials Project. 2020. "Materials Data on Tm2Zn17 by Materials Project". United States. doi:10.17188/1205074. https://www.osti.gov/servlets/purl/1205074. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1205074,
title = {Materials Data on Tm2Zn17 by Materials Project},
author = {The Materials Project},
abstractNote = {Tm2Zn17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tm is bonded in a 10-coordinate geometry to nineteen Zn atoms. There are a spread of Tm–Zn bond distances ranging from 3.09–3.45 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to three equivalent Tm and nine Zn atoms to form distorted ZnTm3Zn9 cuboctahedra that share corners with twenty-three ZnTm2Zn10 cuboctahedra, edges with ten ZnTm2Zn10 cuboctahedra, and faces with twenty ZnTm3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.53–2.86 Å. In the second Zn site, Zn is bonded in a 2-coordinate geometry to one Tm and thirteen Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.65–2.98 Å. In the third Zn site, Zn is bonded to two equivalent Tm and ten Zn atoms to form ZnTm2Zn10 cuboctahedra that share corners with twenty-two ZnTm2Zn10 cuboctahedra, edges with ten ZnTm2Zn10 cuboctahedra, and faces with eighteen ZnTm3Zn9 cuboctahedra. All Zn–Zn bond lengths are 2.59 Å. In the fourth Zn site, Zn is bonded to two equivalent Tm and ten Zn atoms to form distorted ZnTm2Zn10 cuboctahedra that share corners with twenty-four ZnTm2Zn10 cuboctahedra, edges with five ZnTm2Zn10 cuboctahedra, and faces with twenty-one ZnTm3Zn9 cuboctahedra. Both Zn–Zn bond lengths are 2.67 Å.},
doi = {10.17188/1205074},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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