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Title: Materials Data on LuZn12 by Materials Project

Abstract

LuZn12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Lu is bonded in a 4-coordinate geometry to twenty Zn atoms. There are a spread of Lu–Zn bond distances ranging from 3.06–3.36 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded to two equivalent Lu and ten Zn atoms to form a mixture of face, edge, and corner-sharing ZnLu2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.58–2.71 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Lu and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.68–2.94 Å. In the third Zn site, Zn is bonded in a 10-coordinate geometry to one Lu and nine Zn atoms. The Zn–Zn bond length is 2.60 Å.

Authors:
Publication Date:
Other Number(s):
mp-1104393
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; LuZn12; Lu-Zn
OSTI Identifier:
1732008
DOI:
https://doi.org/10.17188/1732008

Citation Formats

The Materials Project. Materials Data on LuZn12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1732008.
The Materials Project. Materials Data on LuZn12 by Materials Project. United States. doi:https://doi.org/10.17188/1732008
The Materials Project. 2020. "Materials Data on LuZn12 by Materials Project". United States. doi:https://doi.org/10.17188/1732008. https://www.osti.gov/servlets/purl/1732008. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1732008,
title = {Materials Data on LuZn12 by Materials Project},
author = {The Materials Project},
abstractNote = {LuZn12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Lu is bonded in a 4-coordinate geometry to twenty Zn atoms. There are a spread of Lu–Zn bond distances ranging from 3.06–3.36 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded to two equivalent Lu and ten Zn atoms to form a mixture of face, edge, and corner-sharing ZnLu2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.58–2.71 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Lu and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.68–2.94 Å. In the third Zn site, Zn is bonded in a 10-coordinate geometry to one Lu and nine Zn atoms. The Zn–Zn bond length is 2.60 Å.},
doi = {10.17188/1732008},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}