U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on YMg2 by Materials Project
Abstract
Mg2Y is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to seven Mg and five equivalent Y atoms to form a mixture of corner, edge, and face-sharing MgY5Mg7 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.16–3.39 Å. There are a spread of Mg–Y bond distances ranging from 3.42–3.63 Å. In the second Mg site, Mg is bonded in a 11-coordinate geometry to seven Mg and four equivalent Y atoms. There are two shorter (3.07 Å) and two longer (3.39 Å) Mg–Mg bond lengths. All Mg–Y bond lengths are 3.30 Å. Y is bonded in a 12-coordinate geometry to nine Mg and three equivalent Y atoms. There are two shorter (3.39 Å) and one longer (3.48 Å) Y–Y bond lengths.
- Publication Date:
- Other Number(s):
- mp-1094454
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Mg-Y; YMg2; crystal structure
- OSTI Identifier:
- 1738131
- DOI:
- https://doi.org/10.17188/1738131
Citation Formats
Materials Data on YMg2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1738131.
Materials Data on YMg2 by Materials Project. United States. doi:https://doi.org/10.17188/1738131
2020.
"Materials Data on YMg2 by Materials Project". United States. doi:https://doi.org/10.17188/1738131. https://www.osti.gov/servlets/purl/1738131. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1738131,
title = {Materials Data on YMg2 by Materials Project},
abstractNote = {Mg2Y is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to seven Mg and five equivalent Y atoms to form a mixture of corner, edge, and face-sharing MgY5Mg7 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.16–3.39 Å. There are a spread of Mg–Y bond distances ranging from 3.42–3.63 Å. In the second Mg site, Mg is bonded in a 11-coordinate geometry to seven Mg and four equivalent Y atoms. There are two shorter (3.07 Å) and two longer (3.39 Å) Mg–Mg bond lengths. All Mg–Y bond lengths are 3.30 Å. Y is bonded in a 12-coordinate geometry to nine Mg and three equivalent Y atoms. There are two shorter (3.39 Å) and one longer (3.48 Å) Y–Y bond lengths.},
doi = {10.17188/1738131},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}