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Title: Materials Data on YMg by Materials Project

Abstract

MgY is beta-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to five Mg and seven Y atoms. There are a spread of Mg–Mg bond distances ranging from 3.31–3.51 Å. There are a spread of Mg–Y bond distances ranging from 3.26–3.63 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to five Mg and seven Y atoms. There are two shorter (3.37 Å) and two longer (3.51 Å) Mg–Mg bond lengths. There are a spread of Mg–Y bond distances ranging from 3.26–3.63 Å. In the third Mg site, Mg is bonded to four Mg and eight Y atoms to form distorted MgY8Mg4 cuboctahedra that share corners with eighteen YY5Mg7 cuboctahedra, edges with four equivalent YY4Mg8 cuboctahedra, edges with six equivalent MgY8Mg4 cuboctahedra, faces with two equivalent MgY8Mg4 cuboctahedra, and faces with ten YY4Mg8 cuboctahedra. There are a spread of Mg–Y bond distances ranging from 3.25–3.69 Å. There are four inequivalent Y sites. In the first Y site, Y is bonded to eight Mg and four Y atoms to form distorted YY4Mg8 cuboctahedra thatmore » share edges with four equivalent MgY8Mg4 cuboctahedra, edges with fourteen YY4Mg8 cuboctahedra, faces with four equivalent MgY8Mg4 cuboctahedra, and faces with ten YY4Mg8 cuboctahedra. All Y–Y bond lengths are 3.58 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 nine equivalent MgY8Mg4 cuboctahedra, corners with nine YY5Mg7 cuboctahedra, edges with ten YY4Mg8 cuboctahedra, faces with three equivalent MgY8Mg4 cuboctahedra, and faces with nine YY4Mg8 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.36–3.63 Å. In the third Y site, Y is bonded to seven Mg and five Y atoms to form distorted YY5Mg7 cuboctahedra that share corners with nine equivalent MgY8Mg4 cuboctahedra, corners with nine YY5Mg7 cuboctahedra, edges with ten YY4Mg8 cuboctahedra, faces with three equivalent MgY8Mg4 cuboctahedra, and faces with nine YY4Mg8 cuboctahedra. Both Y–Y bond lengths are 3.36 Å. In the fourth Y site, Y is bonded to seven Mg and five Y atoms to form distorted YY5Mg7 cuboctahedra that share corners with nine equivalent MgY8Mg4 cuboctahedra, corners with nine YY5Mg7 cuboctahedra, edges with ten YY4Mg8 cuboctahedra, faces with three equivalent MgY8Mg4 cuboctahedra, and faces with nine YY4Mg8 cuboctahedra. The Y–Y bond length is 3.63 Å.« less

Publication Date:
Other Number(s):
mp-1094453
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:
1749257
DOI:
https://doi.org/10.17188/1749257

Citation Formats

The Materials Project. Materials Data on YMg by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749257.
The Materials Project. Materials Data on YMg by Materials Project. United States. doi:https://doi.org/10.17188/1749257
The Materials Project. 2020. "Materials Data on YMg by Materials Project". United States. doi:https://doi.org/10.17188/1749257. https://www.osti.gov/servlets/purl/1749257. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1749257,
title = {Materials Data on YMg by Materials Project},
author = {The Materials Project},
abstractNote = {MgY is beta-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to five Mg and seven Y atoms. There are a spread of Mg–Mg bond distances ranging from 3.31–3.51 Å. There are a spread of Mg–Y bond distances ranging from 3.26–3.63 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to five Mg and seven Y atoms. There are two shorter (3.37 Å) and two longer (3.51 Å) Mg–Mg bond lengths. There are a spread of Mg–Y bond distances ranging from 3.26–3.63 Å. In the third Mg site, Mg is bonded to four Mg and eight Y atoms to form distorted MgY8Mg4 cuboctahedra that share corners with eighteen YY5Mg7 cuboctahedra, edges with four equivalent YY4Mg8 cuboctahedra, edges with six equivalent MgY8Mg4 cuboctahedra, faces with two equivalent MgY8Mg4 cuboctahedra, and faces with ten YY4Mg8 cuboctahedra. There are a spread of Mg–Y bond distances ranging from 3.25–3.69 Å. There are four inequivalent Y sites. In the first Y site, Y is bonded to eight Mg and four Y atoms to form distorted YY4Mg8 cuboctahedra that share edges with four equivalent MgY8Mg4 cuboctahedra, edges with fourteen YY4Mg8 cuboctahedra, faces with four equivalent MgY8Mg4 cuboctahedra, and faces with ten YY4Mg8 cuboctahedra. All Y–Y bond lengths are 3.58 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 nine equivalent MgY8Mg4 cuboctahedra, corners with nine YY5Mg7 cuboctahedra, edges with ten YY4Mg8 cuboctahedra, faces with three equivalent MgY8Mg4 cuboctahedra, and faces with nine YY4Mg8 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.36–3.63 Å. In the third Y site, Y is bonded to seven Mg and five Y atoms to form distorted YY5Mg7 cuboctahedra that share corners with nine equivalent MgY8Mg4 cuboctahedra, corners with nine YY5Mg7 cuboctahedra, edges with ten YY4Mg8 cuboctahedra, faces with three equivalent MgY8Mg4 cuboctahedra, and faces with nine YY4Mg8 cuboctahedra. Both Y–Y bond lengths are 3.36 Å. In the fourth Y site, Y is bonded to seven Mg and five Y atoms to form distorted YY5Mg7 cuboctahedra that share corners with nine equivalent MgY8Mg4 cuboctahedra, corners with nine YY5Mg7 cuboctahedra, edges with ten YY4Mg8 cuboctahedra, faces with three equivalent MgY8Mg4 cuboctahedra, and faces with nine YY4Mg8 cuboctahedra. The Y–Y bond length is 3.63 Å.},
doi = {10.17188/1749257},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}