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Title: Materials Data on YMg2 by Materials Project

Abstract

Mg2Y is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with six equivalent MgMg12 cuboctahedra, corners with twelve YY6Mg6 cuboctahedra, edges with eighteen MgMg12 cuboctahedra, faces with two YY6Mg6 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. There are six shorter (3.28 Å) and six longer (3.32 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded to nine Mg and three equivalent Y atoms to form MgY3Mg9 cuboctahedra that share corners with eighteen MgY3Mg9 cuboctahedra, edges with six equivalent YY6Mg6 cuboctahedra, edges with twelve MgMg12 cuboctahedra, faces with six equivalent YY6Mg6 cuboctahedra, and faces with fourteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.32 Å. All Mg–Y bond lengths are 3.44 Å. In the third Mg site, Mg is bonded to six equivalent Mg and six Y atoms to form MgY6Mg6 cuboctahedra that share corners with eighteen MgY3Mg9 cuboctahedra, edges with six equivalent MgY6Mg6 cuboctahedra, edges with twelve YY6Mg6 cuboctahedra, faces with eight MgY3Mg9 cuboctahedra, and faces with twelve YY6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.32more » Å. All Mg–Y bond lengths are 3.41 Å. There are two inequivalent Y sites. In the first Y site, Y is bonded to six Mg and six equivalent Y atoms to form YY6Mg6 cuboctahedra that share corners with six equivalent MgMg12 cuboctahedra, corners with twelve YY6Mg6 cuboctahedra, edges with six equivalent YY6Mg6 cuboctahedra, edges with twelve MgY3Mg9 cuboctahedra, faces with seven YY6Mg6 cuboctahedra, and faces with thirteen MgMg12 cuboctahedra. All Y–Y bond lengths are 3.32 Å. In the second Y site, Y is bonded to six Mg and six equivalent Y atoms to form YY6Mg6 cuboctahedra that share corners with six equivalent MgMg12 cuboctahedra, corners with twelve YY6Mg6 cuboctahedra, edges with six equivalent YY6Mg6 cuboctahedra, edges with twelve MgY3Mg9 cuboctahedra, faces with seven YY6Mg6 cuboctahedra, and faces with thirteen MgMg12 cuboctahedra. All Y–Mg bond lengths are 3.44 Å. All Y–Y bond lengths are 3.32 Å.« less

Publication Date:
Other Number(s):
mp-1094441
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; YMg2; Mg-Y
OSTI Identifier:
1662593
DOI:
https://doi.org/10.17188/1662593

Citation Formats

The Materials Project. Materials Data on YMg2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1662593.
The Materials Project. Materials Data on YMg2 by Materials Project. United States. doi:https://doi.org/10.17188/1662593
The Materials Project. 2020. "Materials Data on YMg2 by Materials Project". United States. doi:https://doi.org/10.17188/1662593. https://www.osti.gov/servlets/purl/1662593. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1662593,
title = {Materials Data on YMg2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2Y is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with six equivalent MgMg12 cuboctahedra, corners with twelve YY6Mg6 cuboctahedra, edges with eighteen MgMg12 cuboctahedra, faces with two YY6Mg6 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. There are six shorter (3.28 Å) and six longer (3.32 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded to nine Mg and three equivalent Y atoms to form MgY3Mg9 cuboctahedra that share corners with eighteen MgY3Mg9 cuboctahedra, edges with six equivalent YY6Mg6 cuboctahedra, edges with twelve MgMg12 cuboctahedra, faces with six equivalent YY6Mg6 cuboctahedra, and faces with fourteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.32 Å. All Mg–Y bond lengths are 3.44 Å. In the third Mg site, Mg is bonded to six equivalent Mg and six Y atoms to form MgY6Mg6 cuboctahedra that share corners with eighteen MgY3Mg9 cuboctahedra, edges with six equivalent MgY6Mg6 cuboctahedra, edges with twelve YY6Mg6 cuboctahedra, faces with eight MgY3Mg9 cuboctahedra, and faces with twelve YY6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.32 Å. All Mg–Y bond lengths are 3.41 Å. There are two inequivalent Y sites. In the first Y site, Y is bonded to six Mg and six equivalent Y atoms to form YY6Mg6 cuboctahedra that share corners with six equivalent MgMg12 cuboctahedra, corners with twelve YY6Mg6 cuboctahedra, edges with six equivalent YY6Mg6 cuboctahedra, edges with twelve MgY3Mg9 cuboctahedra, faces with seven YY6Mg6 cuboctahedra, and faces with thirteen MgMg12 cuboctahedra. All Y–Y bond lengths are 3.32 Å. In the second Y site, Y is bonded to six Mg and six equivalent Y atoms to form YY6Mg6 cuboctahedra that share corners with six equivalent MgMg12 cuboctahedra, corners with twelve YY6Mg6 cuboctahedra, edges with six equivalent YY6Mg6 cuboctahedra, edges with twelve MgY3Mg9 cuboctahedra, faces with seven YY6Mg6 cuboctahedra, and faces with thirteen MgMg12 cuboctahedra. All Y–Mg bond lengths are 3.44 Å. All Y–Y bond lengths are 3.32 Å.},
doi = {10.17188/1662593},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}