U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LaYMg6 by Materials Project
Abstract
Mg6LaY crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to four Mg, two equivalent La, and two equivalent Y atoms. There are two shorter (3.24 Å) and two longer (3.31 Å) Mg–Mg bond lengths. Both Mg–La bond lengths are 3.28 Å. There are one shorter (3.27 Å) and one longer (3.30 Å) Mg–Y bond lengths. In the second Mg site, Mg is bonded in a 8-coordinate geometry to four Mg, two equivalent La, and two equivalent Y atoms. There are a spread of Mg–Mg bond distances ranging from 3.17–3.39 Å. Both Mg–La bond lengths are 3.34 Å. Both Mg–Y bond lengths are 3.22 Å. In the third Mg site, Mg is bonded to eight Mg, two equivalent La, and two equivalent Y atoms to form MgLa2Y2Mg8 cuboctahedra that share corners with twelve MgLa2Y2Mg8 cuboctahedra, edges with four equivalent LaMg12 cuboctahedra, edges with four equivalent YMg12 cuboctahedra, faces with two equivalent LaMg12 cuboctahedra, faces with two equivalent YMg12 cuboctahedra, and faces with six MgLa2Y2Mg8 cuboctahedra. Both Mg–La bond lengths are 3.55 Å. Both Mg–Y bond lengths are 3.51 Å. Inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1022836
- 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; LaYMg6; La-Mg-Y
- OSTI Identifier:
- 1676102
- DOI:
- https://doi.org/10.17188/1676102
Citation Formats
The Materials Project. Materials Data on LaYMg6 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1676102.
The Materials Project. Materials Data on LaYMg6 by Materials Project. United States. doi:https://doi.org/10.17188/1676102
The Materials Project. 2018.
"Materials Data on LaYMg6 by Materials Project". United States. doi:https://doi.org/10.17188/1676102. https://www.osti.gov/servlets/purl/1676102. Pub date:Thu May 17 00:00:00 EDT 2018
@article{osti_1676102,
title = {Materials Data on LaYMg6 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg6LaY crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to four Mg, two equivalent La, and two equivalent Y atoms. There are two shorter (3.24 Å) and two longer (3.31 Å) Mg–Mg bond lengths. Both Mg–La bond lengths are 3.28 Å. There are one shorter (3.27 Å) and one longer (3.30 Å) Mg–Y bond lengths. In the second Mg site, Mg is bonded in a 8-coordinate geometry to four Mg, two equivalent La, and two equivalent Y atoms. There are a spread of Mg–Mg bond distances ranging from 3.17–3.39 Å. Both Mg–La bond lengths are 3.34 Å. Both Mg–Y bond lengths are 3.22 Å. In the third Mg site, Mg is bonded to eight Mg, two equivalent La, and two equivalent Y atoms to form MgLa2Y2Mg8 cuboctahedra that share corners with twelve MgLa2Y2Mg8 cuboctahedra, edges with four equivalent LaMg12 cuboctahedra, edges with four equivalent YMg12 cuboctahedra, faces with two equivalent LaMg12 cuboctahedra, faces with two equivalent YMg12 cuboctahedra, and faces with six MgLa2Y2Mg8 cuboctahedra. Both Mg–La bond lengths are 3.55 Å. Both Mg–Y bond lengths are 3.51 Å. In the fourth Mg site, Mg is bonded to eight Mg, two equivalent La, and two equivalent Y atoms to form MgLa2Y2Mg8 cuboctahedra that share corners with twelve MgLa2Y2Mg8 cuboctahedra, edges with four equivalent LaMg12 cuboctahedra, edges with four equivalent YMg12 cuboctahedra, faces with two equivalent LaMg12 cuboctahedra, faces with two equivalent YMg12 cuboctahedra, and faces with six MgLa2Y2Mg8 cuboctahedra. Both Mg–La bond lengths are 3.57 Å. Both Mg–Y bond lengths are 3.59 Å. La is bonded to twelve Mg atoms to form distorted LaMg12 cuboctahedra that share corners with four equivalent LaMg12 cuboctahedra, corners with eight equivalent YMg12 cuboctahedra, edges with eight MgLa2Y2Mg8 cuboctahedra, faces with two equivalent LaMg12 cuboctahedra, faces with four MgLa2Y2Mg8 cuboctahedra, and faces with four equivalent YMg12 cuboctahedra. Y is bonded to twelve Mg atoms to form distorted YMg12 cuboctahedra that share corners with four equivalent YMg12 cuboctahedra, corners with eight equivalent LaMg12 cuboctahedra, edges with eight MgLa2Y2Mg8 cuboctahedra, faces with two equivalent YMg12 cuboctahedra, faces with four MgLa2Y2Mg8 cuboctahedra, and faces with four equivalent LaMg12 cuboctahedra.},
doi = {10.17188/1676102},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {5}
}