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Title: Materials Data on ScZn3 by Materials Project

Abstract

ScZn3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded to twelve Zn atoms to form a mixture of face and corner-sharing ScZn12 cuboctahedra. There are six shorter (2.83 Å) and six longer (2.95 Å) Sc–Zn bond lengths. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to four equivalent Sc and eight Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.73–3.09 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to four equivalent Sc and eight equivalent Zn atoms. In the third Zn site, Zn is bonded in a 12-coordinate geometry to four equivalent Sc and eight equivalent Zn atoms.

Authors:
Publication Date:
Other Number(s):
mp-862260
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; ScZn3; Sc-Zn
OSTI Identifier:
1309386
DOI:
https://doi.org/10.17188/1309386

Citation Formats

The Materials Project. Materials Data on ScZn3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1309386.
The Materials Project. Materials Data on ScZn3 by Materials Project. United States. doi:https://doi.org/10.17188/1309386
The Materials Project. 2020. "Materials Data on ScZn3 by Materials Project". United States. doi:https://doi.org/10.17188/1309386. https://www.osti.gov/servlets/purl/1309386. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1309386,
title = {Materials Data on ScZn3 by Materials Project},
author = {The Materials Project},
abstractNote = {ScZn3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded to twelve Zn atoms to form a mixture of face and corner-sharing ScZn12 cuboctahedra. There are six shorter (2.83 Å) and six longer (2.95 Å) Sc–Zn bond lengths. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to four equivalent Sc and eight Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.73–3.09 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to four equivalent Sc and eight equivalent Zn atoms. In the third Zn site, Zn is bonded in a 12-coordinate geometry to four equivalent Sc and eight equivalent Zn atoms.},
doi = {10.17188/1309386},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 22 00:00:00 EDT 2020},
month = {Wed Jul 22 00:00:00 EDT 2020}
}