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Title: Materials Data on YMg by Materials Project

Abstract

MgY is beta-derived structured and crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to five Mg and seven Y atoms to form distorted MgY7Mg5 cuboctahedra that share corners with six equivalent YY4Mg8 cuboctahedra, corners with twelve equivalent MgY7Mg5 cuboctahedra, edges with eight equivalent YY5Mg7 cuboctahedra, edges with ten MgY8Mg4 cuboctahedra, faces with eight MgY8Mg4 cuboctahedra, and faces with twelve YY5Mg7 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.38–3.46 Å. There are a spread of Mg–Y bond distances ranging from 3.30–3.53 Å. In the second Mg site, Mg is bonded to four equivalent Mg and eight Y atoms to form distorted MgY8Mg4 cuboctahedra that share corners with six equivalent MgY8Mg4 cuboctahedra, corners with twelve equivalent YY5Mg7 cuboctahedra, edges with four equivalent YY4Mg8 cuboctahedra, edges with fourteen MgY8Mg4 cuboctahedra, faces with eight equivalent MgY7Mg5 cuboctahedra, and faces with twelve YY4Mg8 cuboctahedra. There are a spread of Mg–Y bond distances ranging from 3.35–3.43 Å. There are two inequivalent Y sites. In the first Y site, Y is bonded to eight Mg and four equivalent Y atoms to form YY4Mg8 cuboctahedra that sharemore » corners with six equivalent YY4Mg8 cuboctahedra, corners with twelve equivalent MgY7Mg5 cuboctahedra, edges with four equivalent MgY8Mg4 cuboctahedra, edges with fourteen YY4Mg8 cuboctahedra, faces with eight equivalent YY5Mg7 cuboctahedra, and faces with twelve MgY8Mg4 cuboctahedra. All Y–Y bond lengths are 3.47 Å. In the second Y site, Y is bonded to seven Mg and five Y atoms to form distorted YY5Mg7 cuboctahedra that share corners with six equivalent MgY8Mg4 cuboctahedra, corners with twelve equivalent YY5Mg7 cuboctahedra, edges with eight equivalent MgY7Mg5 cuboctahedra, edges with ten YY4Mg8 cuboctahedra, faces with eight YY4Mg8 cuboctahedra, and faces with twelve MgY7Mg5 cuboctahedra. There are one shorter (3.38 Å) and two longer (3.39 Å) Y–Y bond lengths.« less

Publication Date:
Other Number(s):
mp-1094523
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; YMg; Mg-Y
OSTI Identifier:
1707297
DOI:
https://doi.org/10.17188/1707297

Citation Formats

The Materials Project. Materials Data on YMg by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1707297.
The Materials Project. Materials Data on YMg by Materials Project. United States. doi:https://doi.org/10.17188/1707297
The Materials Project. 2020. "Materials Data on YMg by Materials Project". United States. doi:https://doi.org/10.17188/1707297. https://www.osti.gov/servlets/purl/1707297. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1707297,
title = {Materials Data on YMg by Materials Project},
author = {The Materials Project},
abstractNote = {MgY is beta-derived structured and crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to five Mg and seven Y atoms to form distorted MgY7Mg5 cuboctahedra that share corners with six equivalent YY4Mg8 cuboctahedra, corners with twelve equivalent MgY7Mg5 cuboctahedra, edges with eight equivalent YY5Mg7 cuboctahedra, edges with ten MgY8Mg4 cuboctahedra, faces with eight MgY8Mg4 cuboctahedra, and faces with twelve YY5Mg7 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.38–3.46 Å. There are a spread of Mg–Y bond distances ranging from 3.30–3.53 Å. In the second Mg site, Mg is bonded to four equivalent Mg and eight Y atoms to form distorted MgY8Mg4 cuboctahedra that share corners with six equivalent MgY8Mg4 cuboctahedra, corners with twelve equivalent YY5Mg7 cuboctahedra, edges with four equivalent YY4Mg8 cuboctahedra, edges with fourteen MgY8Mg4 cuboctahedra, faces with eight equivalent MgY7Mg5 cuboctahedra, and faces with twelve YY4Mg8 cuboctahedra. There are a spread of Mg–Y bond distances ranging from 3.35–3.43 Å. There are two inequivalent Y sites. In the first Y site, Y is bonded to eight Mg and four equivalent Y atoms to form YY4Mg8 cuboctahedra that share corners with six equivalent YY4Mg8 cuboctahedra, corners with twelve equivalent MgY7Mg5 cuboctahedra, edges with four equivalent MgY8Mg4 cuboctahedra, edges with fourteen YY4Mg8 cuboctahedra, faces with eight equivalent YY5Mg7 cuboctahedra, and faces with twelve MgY8Mg4 cuboctahedra. All Y–Y bond lengths are 3.47 Å. In the second Y site, Y is bonded to seven Mg and five Y atoms to form distorted YY5Mg7 cuboctahedra that share corners with six equivalent MgY8Mg4 cuboctahedra, corners with twelve equivalent YY5Mg7 cuboctahedra, edges with eight equivalent MgY7Mg5 cuboctahedra, edges with ten YY4Mg8 cuboctahedra, faces with eight YY4Mg8 cuboctahedra, and faces with twelve MgY7Mg5 cuboctahedra. There are one shorter (3.38 Å) and two longer (3.39 Å) Y–Y bond lengths.},
doi = {10.17188/1707297},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}