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Title: Materials Data on MgZn by Materials Project

Abstract

MgZn crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to seven Mg and five Zn atoms to form distorted MgMg7Zn5 cuboctahedra that share corners with six equivalent ZnMg5Zn7 cuboctahedra, corners with twelve MgMg7Zn5 cuboctahedra, edges with five MgMg6Zn6 cuboctahedra, edges with seven ZnMg5Zn7 cuboctahedra, faces with seven ZnMg5Zn7 cuboctahedra, and faces with ten MgMg7Zn5 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.00–3.10 Å. There are a spread of Mg–Zn bond distances ranging from 2.85–3.05 Å. In the second Mg site, Mg is bonded to six Mg and six Zn atoms to form distorted MgMg6Zn6 cuboctahedra that share corners with six equivalent ZnMg5Zn7 cuboctahedra, corners with twelve MgMg7Zn5 cuboctahedra, edges with five ZnMg5Zn7 cuboctahedra, edges with nine MgMg7Zn5 cuboctahedra, faces with eight MgMg7Zn5 cuboctahedra, and faces with eight ZnMg5Zn7 cuboctahedra. There are two shorter (3.04 Å) and two longer (3.06 Å) Mg–Mg bond lengths. There are a spread of Mg–Zn bond distances ranging from 2.74–2.99 Å. In the third Mg site, Mg is bonded to seven Mg and five Zn atoms to form distorted MgMg7Zn5 cuboctahedra that share corners withmore » six equivalent MgMg7Zn5 cuboctahedra, corners with six equivalent ZnMg6Zn6 cuboctahedra, edges with seven ZnMg5Zn7 cuboctahedra, edges with eight MgMg7Zn5 cuboctahedra, faces with seven ZnMg5Zn7 cuboctahedra, and faces with ten MgMg7Zn5 cuboctahedra. Both Mg–Mg bond lengths are 3.04 Å. There are one shorter (2.89 Å) and four longer (2.97 Å) Mg–Zn bond lengths. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to five Mg and seven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.87–3.04 Å. In the second Zn site, Zn is bonded to five Mg and seven Zn atoms to form distorted ZnMg5Zn7 cuboctahedra that share corners with six equivalent ZnMg5Zn7 cuboctahedra, corners with twelve MgMg7Zn5 cuboctahedra, edges with six equivalent ZnMg6Zn6 cuboctahedra, edges with ten MgMg7Zn5 cuboctahedra, faces with five ZnMg5Zn7 cuboctahedra, and faces with ten MgMg7Zn5 cuboctahedra. There are two shorter (2.89 Å) and two longer (3.04 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded to six Mg and six Zn atoms to form distorted ZnMg6Zn6 cuboctahedra that share corners with six equivalent MgMg7Zn5 cuboctahedra, corners with six equivalent ZnMg6Zn6 cuboctahedra, edges with six equivalent ZnMg5Zn7 cuboctahedra, edges with nine MgMg7Zn5 cuboctahedra, faces with five ZnMg5Zn7 cuboctahedra, and faces with twelve MgMg7Zn5 cuboctahedra. Both Zn–Zn bond lengths are 3.04 Å.« less

Publication Date:
Other Number(s):
mp-1094493
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; MgZn; Mg-Zn
OSTI Identifier:
1748969
DOI:
https://doi.org/10.17188/1748969

Citation Formats

The Materials Project. Materials Data on MgZn by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748969.
The Materials Project. Materials Data on MgZn by Materials Project. United States. doi:https://doi.org/10.17188/1748969
The Materials Project. 2020. "Materials Data on MgZn by Materials Project". United States. doi:https://doi.org/10.17188/1748969. https://www.osti.gov/servlets/purl/1748969. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1748969,
title = {Materials Data on MgZn by Materials Project},
author = {The Materials Project},
abstractNote = {MgZn crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to seven Mg and five Zn atoms to form distorted MgMg7Zn5 cuboctahedra that share corners with six equivalent ZnMg5Zn7 cuboctahedra, corners with twelve MgMg7Zn5 cuboctahedra, edges with five MgMg6Zn6 cuboctahedra, edges with seven ZnMg5Zn7 cuboctahedra, faces with seven ZnMg5Zn7 cuboctahedra, and faces with ten MgMg7Zn5 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.00–3.10 Å. There are a spread of Mg–Zn bond distances ranging from 2.85–3.05 Å. In the second Mg site, Mg is bonded to six Mg and six Zn atoms to form distorted MgMg6Zn6 cuboctahedra that share corners with six equivalent ZnMg5Zn7 cuboctahedra, corners with twelve MgMg7Zn5 cuboctahedra, edges with five ZnMg5Zn7 cuboctahedra, edges with nine MgMg7Zn5 cuboctahedra, faces with eight MgMg7Zn5 cuboctahedra, and faces with eight ZnMg5Zn7 cuboctahedra. There are two shorter (3.04 Å) and two longer (3.06 Å) Mg–Mg bond lengths. There are a spread of Mg–Zn bond distances ranging from 2.74–2.99 Å. In the third Mg site, Mg is bonded to seven Mg and five Zn atoms to form distorted MgMg7Zn5 cuboctahedra that share corners with six equivalent MgMg7Zn5 cuboctahedra, corners with six equivalent ZnMg6Zn6 cuboctahedra, edges with seven ZnMg5Zn7 cuboctahedra, edges with eight MgMg7Zn5 cuboctahedra, faces with seven ZnMg5Zn7 cuboctahedra, and faces with ten MgMg7Zn5 cuboctahedra. Both Mg–Mg bond lengths are 3.04 Å. There are one shorter (2.89 Å) and four longer (2.97 Å) Mg–Zn bond lengths. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to five Mg and seven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.87–3.04 Å. In the second Zn site, Zn is bonded to five Mg and seven Zn atoms to form distorted ZnMg5Zn7 cuboctahedra that share corners with six equivalent ZnMg5Zn7 cuboctahedra, corners with twelve MgMg7Zn5 cuboctahedra, edges with six equivalent ZnMg6Zn6 cuboctahedra, edges with ten MgMg7Zn5 cuboctahedra, faces with five ZnMg5Zn7 cuboctahedra, and faces with ten MgMg7Zn5 cuboctahedra. There are two shorter (2.89 Å) and two longer (3.04 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded to six Mg and six Zn atoms to form distorted ZnMg6Zn6 cuboctahedra that share corners with six equivalent MgMg7Zn5 cuboctahedra, corners with six equivalent ZnMg6Zn6 cuboctahedra, edges with six equivalent ZnMg5Zn7 cuboctahedra, edges with nine MgMg7Zn5 cuboctahedra, faces with five ZnMg5Zn7 cuboctahedra, and faces with twelve MgMg7Zn5 cuboctahedra. Both Zn–Zn bond lengths are 3.04 Å.},
doi = {10.17188/1748969},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}