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Title: Materials Data on MgZn2 by Materials Project

Abstract

MgZn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to four equivalent Mg and twelve Zn atoms. There are one shorter (3.17 Å) and three longer (3.21 Å) Mg–Mg bond lengths. There are a spread of Mg–Zn bond distances ranging from 3.03–3.08 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to six equivalent Mg and six equivalent Zn atoms to form a mixture of edge, face, and corner-sharing ZnMg6Zn6 cuboctahedra. All Zn–Zn bond lengths are 2.62 Å. In the second Zn site, Zn is bonded to six equivalent Mg and six Zn atoms to form a mixture of edge, face, and corner-sharing ZnMg6Zn6 cuboctahedra. There are two shorter (2.57 Å) and two longer (2.68 Å) Zn–Zn bond lengths.

Publication Date:
Other Number(s):
mp-1124
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; MgZn2; Mg-Zn
OSTI Identifier:
1187663
DOI:
https://doi.org/10.17188/1187663

Citation Formats

The Materials Project. Materials Data on MgZn2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187663.
The Materials Project. Materials Data on MgZn2 by Materials Project. United States. doi:https://doi.org/10.17188/1187663
The Materials Project. 2020. "Materials Data on MgZn2 by Materials Project". United States. doi:https://doi.org/10.17188/1187663. https://www.osti.gov/servlets/purl/1187663. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187663,
title = {Materials Data on MgZn2 by Materials Project},
author = {The Materials Project},
abstractNote = {MgZn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to four equivalent Mg and twelve Zn atoms. There are one shorter (3.17 Å) and three longer (3.21 Å) Mg–Mg bond lengths. There are a spread of Mg–Zn bond distances ranging from 3.03–3.08 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to six equivalent Mg and six equivalent Zn atoms to form a mixture of edge, face, and corner-sharing ZnMg6Zn6 cuboctahedra. All Zn–Zn bond lengths are 2.62 Å. In the second Zn site, Zn is bonded to six equivalent Mg and six Zn atoms to form a mixture of edge, face, and corner-sharing ZnMg6Zn6 cuboctahedra. There are two shorter (2.57 Å) and two longer (2.68 Å) Zn–Zn bond lengths.},
doi = {10.17188/1187663},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}