Title: Materials Data on YZn5 by Materials Project

Abstract

YZn5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Y is bonded in a 6-coordinate geometry to eighteen Zn atoms. There are six shorter (3.07 Å) and twelve longer (3.40 Å) Y–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Y and eight Zn atoms to form a mixture of edge, face, and corner-sharing ZnY4Zn8 cuboctahedra. There are four shorter (2.61 Å) and four longer (2.66 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Y and six equivalent Zn atoms.

Publication Date:
Other Number(s):
mp-30885
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; crystal structure; Y-Zn; YZn5
OSTI Identifier:
1205238
DOI:
https://doi.org/10.17188/1205238

Citation Formats

Materials Data on YZn5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205238.
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Materials Data on YZn5 by Materials Project. United States. doi:https://doi.org/10.17188/1205238
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2020. "Materials Data on YZn5 by Materials Project". United States. doi:https://doi.org/10.17188/1205238. https://www.osti.gov/servlets/purl/1205238. Pub date:Wed Jul 15 20:00:00 EDT 2020
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@article{osti_1205238,
title = {Materials Data on YZn5 by Materials Project},
abstractNote = {YZn5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Y is bonded in a 6-coordinate geometry to eighteen Zn atoms. There are six shorter (3.07 Å) and twelve longer (3.40 Å) Y–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Y and eight Zn atoms to form a mixture of edge, face, and corner-sharing ZnY4Zn8 cuboctahedra. There are four shorter (2.61 Å) and four longer (2.66 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Y and six equivalent Zn atoms.},
doi = {10.17188/1205238},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1205238
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