U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on YMg6AlO8 by Materials Project
Abstract
Mg6YAlO8 is alpha Po-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share corners with six MgO6 octahedra, edges with four equivalent AlO6 octahedra, and edges with eight equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.19 Å) and four longer (2.25 Å) Mg–O bond lengths. In the second Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share corners with six MgO6 octahedra, edges with four equivalent YO6 octahedra, and edges with eight equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.22 Å) and four longer (2.25 Å) Mg–O bond lengths. In the third Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share corners with six equivalent MgO6 octahedra, edges with two equivalent YO6 octahedra, edges with two equivalent AlO6 octahedra, and edges with eight MgO6 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. There are a spread of Mg–O bond distances ranging from 2.09–2.31 Å. Ymore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1033108
- 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; YMg6AlO8; Al-Mg-O-Y
- OSTI Identifier:
- 1675890
- DOI:
- https://doi.org/10.17188/1675890
Citation Formats
The Materials Project. Materials Data on YMg6AlO8 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1675890.
The Materials Project. Materials Data on YMg6AlO8 by Materials Project. United States. doi:https://doi.org/10.17188/1675890
The Materials Project. 2017.
"Materials Data on YMg6AlO8 by Materials Project". United States. doi:https://doi.org/10.17188/1675890. https://www.osti.gov/servlets/purl/1675890. Pub date:Thu May 25 00:00:00 EDT 2017
@article{osti_1675890,
title = {Materials Data on YMg6AlO8 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg6YAlO8 is alpha Po-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share corners with six MgO6 octahedra, edges with four equivalent AlO6 octahedra, and edges with eight equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.19 Å) and four longer (2.25 Å) Mg–O bond lengths. In the second Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share corners with six MgO6 octahedra, edges with four equivalent YO6 octahedra, and edges with eight equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.22 Å) and four longer (2.25 Å) Mg–O bond lengths. In the third Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share corners with six equivalent MgO6 octahedra, edges with two equivalent YO6 octahedra, edges with two equivalent AlO6 octahedra, and edges with eight MgO6 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. There are a spread of Mg–O bond distances ranging from 2.09–2.31 Å. Y is bonded to six O atoms to form YO6 octahedra that share corners with two equivalent AlO6 octahedra, corners with four equivalent YO6 octahedra, and edges with twelve MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.25 Å) and two longer (2.31 Å) Y–O bond lengths. Al is bonded to six O atoms to form AlO6 octahedra that share corners with two equivalent YO6 octahedra, corners with four equivalent AlO6 octahedra, and edges with twelve MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.10 Å) and four longer (2.25 Å) Al–O bond lengths. There are five inequivalent O sites. In the first O site, O is bonded to four equivalent Mg, one Y, and one Al atom to form OYMg4Al octahedra that share corners with six equivalent OYMg4Al octahedra and edges with twelve OMg6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O site, O is bonded to six Mg atoms to form OMg6 octahedra that share corners with six equivalent OMg6 octahedra and edges with twelve OYMg4Al octahedra. The corner-sharing octahedra tilt angles range from 0–5°. In the third O site, O is bonded to four Mg and two equivalent Al atoms to form OMg4Al2 octahedra that share corners with six OMg4Al2 octahedra and edges with twelve OYMg4Al octahedra. The corner-sharing octahedral tilt angles are 0°. In the fourth O site, O is bonded to four Mg and two equivalent Y atoms to form OY2Mg4 octahedra that share corners with six OMg4Al2 octahedra and edges with twelve OYMg4Al octahedra. The corner-sharing octahedral tilt angles are 0°. In the fifth O site, O is bonded to four Mg and two equivalent Al atoms to form OMg4Al2 octahedra that share corners with six OY2Mg4 octahedra and edges with twelve OYMg4Al octahedra. The corner-sharing octahedral tilt angles are 0°. Both O–Mg bond lengths are 2.09 Å.},
doi = {10.17188/1675890},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}