U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on YMg by Materials Project
Abstract
MgY 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 to four Mg and eight Y atoms to form distorted MgY8Mg4 cuboctahedra that share corners with six equivalent MgY8Mg4 cuboctahedra, corners with twelve YY4Mg8 cuboctahedra, edges with eight equivalent MgY8Mg4 cuboctahedra, edges with ten YY4Mg8 cuboctahedra, faces with eight YY4Mg8 cuboctahedra, and faces with twelve MgY8Mg4 cuboctahedra. There are two shorter (3.43 Å) and two longer (3.47 Å) Mg–Mg bond lengths. There are a spread of Mg–Y bond distances ranging from 3.27–3.39 Å. In the second Mg site, Mg is bonded to four Mg and eight Y atoms to form distorted MgY8Mg4 cuboctahedra that share corners with six equivalent YY4Mg8 cuboctahedra, corners with twelve MgY6Mg6 cuboctahedra, edges with seven YY6Mg6 cuboctahedra, edges with eleven MgY6Mg6 cuboctahedra, faces with eight MgY8Mg4 cuboctahedra, and faces with twelve YY4Mg8 cuboctahedra. There are two shorter (3.30 Å) and two longer (3.47 Å) Mg–Mg bond lengths. There are a spread of Mg–Y bond distances ranging from 3.40–3.60 Å. In the third Mg site, Mg is bonded to six Mg and six Y atoms to form distorted MgY6Mg6 cuboctahedra thatmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1094447
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; YMg; Mg-Y
- OSTI Identifier:
- 1749321
- DOI:
- https://doi.org/10.17188/1749321
Citation Formats
The Materials Project. Materials Data on YMg by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1749321.
The Materials Project. Materials Data on YMg by Materials Project. United States. doi:https://doi.org/10.17188/1749321
The Materials Project. 2020.
"Materials Data on YMg by Materials Project". United States. doi:https://doi.org/10.17188/1749321. https://www.osti.gov/servlets/purl/1749321. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1749321,
title = {Materials Data on YMg by Materials Project},
author = {The Materials Project},
abstractNote = {MgY 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 to four Mg and eight Y atoms to form distorted MgY8Mg4 cuboctahedra that share corners with six equivalent MgY8Mg4 cuboctahedra, corners with twelve YY4Mg8 cuboctahedra, edges with eight equivalent MgY8Mg4 cuboctahedra, edges with ten YY4Mg8 cuboctahedra, faces with eight YY4Mg8 cuboctahedra, and faces with twelve MgY8Mg4 cuboctahedra. There are two shorter (3.43 Å) and two longer (3.47 Å) Mg–Mg bond lengths. There are a spread of Mg–Y bond distances ranging from 3.27–3.39 Å. In the second Mg site, Mg is bonded to four Mg and eight Y atoms to form distorted MgY8Mg4 cuboctahedra that share corners with six equivalent YY4Mg8 cuboctahedra, corners with twelve MgY6Mg6 cuboctahedra, edges with seven YY6Mg6 cuboctahedra, edges with eleven MgY6Mg6 cuboctahedra, faces with eight MgY8Mg4 cuboctahedra, and faces with twelve YY4Mg8 cuboctahedra. There are two shorter (3.30 Å) and two longer (3.47 Å) Mg–Mg bond lengths. There are a spread of Mg–Y bond distances ranging from 3.40–3.60 Å. In the third Mg site, Mg is bonded to six Mg and six Y atoms to form distorted MgY6Mg6 cuboctahedra that share corners with six equivalent YY4Mg8 cuboctahedra, corners with twelve MgY6Mg6 cuboctahedra, edges with three equivalent MgY8Mg4 cuboctahedra, edges with fifteen YY4Mg8 cuboctahedra, faces with eight YY4Mg8 cuboctahedra, and faces with twelve MgY8Mg4 cuboctahedra. Both Mg–Mg bond lengths are 3.47 Å. There are two shorter (3.31 Å) and four longer (3.33 Å) Mg–Y bond lengths. There are three 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 corners with six equivalent MgY8Mg4 cuboctahedra, corners with twelve YY4Mg8 cuboctahedra, edges with seven MgY6Mg6 cuboctahedra, edges with eleven YY6Mg6 cuboctahedra, faces with eight YY4Mg8 cuboctahedra, and faces with twelve MgY8Mg4 cuboctahedra. There are two shorter (3.47 Å) and two longer (3.54 Å) Y–Y bond lengths. In the second Y site, Y is bonded to six Mg and six Y atoms to form YY6Mg6 cuboctahedra that share corners with six equivalent MgY8Mg4 cuboctahedra, corners with twelve YY4Mg8 cuboctahedra, edges with three equivalent YY4Mg8 cuboctahedra, edges with fifteen MgY6Mg6 cuboctahedra, faces with eight MgY8Mg4 cuboctahedra, and faces with twelve YY4Mg8 cuboctahedra. There are two shorter (3.47 Å) and two longer (3.49 Å) Y–Y bond lengths. In the third Y site, Y is bonded to eight Mg and four Y atoms to form YY4Mg8 cuboctahedra that share corners with six equivalent YY4Mg8 cuboctahedra, corners with twelve MgY6Mg6 cuboctahedra, edges with eight equivalent YY4Mg8 cuboctahedra, edges with ten MgY6Mg6 cuboctahedra, faces with eight MgY8Mg4 cuboctahedra, and faces with twelve YY4Mg8 cuboctahedra. Both Y–Y bond lengths are 3.47 Å.},
doi = {10.17188/1749321},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}