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Title: Materials Data on Sm2Zn17 by Materials Project

Abstract

Sm2Zn17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm is bonded in a 10-coordinate geometry to nineteen Zn atoms. There are a spread of Sm–Zn bond distances ranging from 3.13–3.47 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to three equivalent Sm and nine Zn atoms to form distorted ZnSm3Zn9 cuboctahedra that share corners with twenty-three ZnSm2Zn10 cuboctahedra, edges with ten ZnSm2Zn10 cuboctahedra, and faces with twenty ZnSm3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.57–2.88 Å. In the second Zn site, Zn is bonded in a 2-coordinate geometry to one Sm and thirteen Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.63–2.97 Å. In the third Zn site, Zn is bonded to two equivalent Sm and ten Zn atoms to form ZnSm2Zn10 cuboctahedra that share corners with twenty-two ZnSm2Zn10 cuboctahedra, edges with ten ZnSm2Zn10 cuboctahedra, and faces with eighteen ZnSm3Zn9 cuboctahedra. All Zn–Zn bond lengths are 2.60 Å. In the fourth Zn site, Zn is bonded to two equivalent Sm and ten Zn atoms to form distorted ZnSm2Zn10 cuboctahedra that share corners with twenty-four ZnSm2Zn10 cuboctahedra, edges with five ZnSm2Zn10more » cuboctahedra, and faces with twenty-one ZnSm3Zn9 cuboctahedra. Both Zn–Zn bond lengths are 2.66 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-30712
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; Sm2Zn17; Sm-Zn
OSTI Identifier:
1205072
DOI:
https://doi.org/10.17188/1205072

Citation Formats

The Materials Project. Materials Data on Sm2Zn17 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205072.
The Materials Project. Materials Data on Sm2Zn17 by Materials Project. United States. doi:https://doi.org/10.17188/1205072
The Materials Project. 2020. "Materials Data on Sm2Zn17 by Materials Project". United States. doi:https://doi.org/10.17188/1205072. https://www.osti.gov/servlets/purl/1205072. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1205072,
title = {Materials Data on Sm2Zn17 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm2Zn17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm is bonded in a 10-coordinate geometry to nineteen Zn atoms. There are a spread of Sm–Zn bond distances ranging from 3.13–3.47 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to three equivalent Sm and nine Zn atoms to form distorted ZnSm3Zn9 cuboctahedra that share corners with twenty-three ZnSm2Zn10 cuboctahedra, edges with ten ZnSm2Zn10 cuboctahedra, and faces with twenty ZnSm3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.57–2.88 Å. In the second Zn site, Zn is bonded in a 2-coordinate geometry to one Sm and thirteen Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.63–2.97 Å. In the third Zn site, Zn is bonded to two equivalent Sm and ten Zn atoms to form ZnSm2Zn10 cuboctahedra that share corners with twenty-two ZnSm2Zn10 cuboctahedra, edges with ten ZnSm2Zn10 cuboctahedra, and faces with eighteen ZnSm3Zn9 cuboctahedra. All Zn–Zn bond lengths are 2.60 Å. In the fourth Zn site, Zn is bonded to two equivalent Sm and ten Zn atoms to form distorted ZnSm2Zn10 cuboctahedra that share corners with twenty-four ZnSm2Zn10 cuboctahedra, edges with five ZnSm2Zn10 cuboctahedra, and faces with twenty-one ZnSm3Zn9 cuboctahedra. Both Zn–Zn bond lengths are 2.66 Å.},
doi = {10.17188/1205072},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}