U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on YMg2 by Materials Project
Abstract
Mg2Y is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Mg and six equivalent Y atoms to form a mixture of corner, edge, and face-sharing MgY6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.05 Å. All Mg–Y bond lengths are 3.56 Å. In the second Mg site, Mg is bonded to six Mg and six equivalent Y atoms to form a mixture of corner, edge, and face-sharing MgY6Mg6 cuboctahedra. There are two shorter (2.95 Å) and two longer (3.11 Å) Mg–Mg bond lengths. There are two shorter (3.53 Å) and four longer (3.54 Å) Mg–Y bond lengths. Y is bonded in a 12-coordinate geometry to twelve Mg and four equivalent Y atoms. There are one shorter (3.65 Å) and three longer (3.72 Å) Y–Y bond lengths.
- Authors:
- Publication Date:
- Other Number(s):
- mp-11499
- 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; YMg2; Mg-Y
- OSTI Identifier:
- 1188010
- DOI:
- https://doi.org/10.17188/1188010
Citation Formats
The Materials Project. Materials Data on YMg2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1188010.
The Materials Project. Materials Data on YMg2 by Materials Project. United States. doi:https://doi.org/10.17188/1188010
The Materials Project. 2020.
"Materials Data on YMg2 by Materials Project". United States. doi:https://doi.org/10.17188/1188010. https://www.osti.gov/servlets/purl/1188010. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1188010,
title = {Materials Data on YMg2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2Y is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Mg and six equivalent Y atoms to form a mixture of corner, edge, and face-sharing MgY6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.05 Å. All Mg–Y bond lengths are 3.56 Å. In the second Mg site, Mg is bonded to six Mg and six equivalent Y atoms to form a mixture of corner, edge, and face-sharing MgY6Mg6 cuboctahedra. There are two shorter (2.95 Å) and two longer (3.11 Å) Mg–Mg bond lengths. There are two shorter (3.53 Å) and four longer (3.54 Å) Mg–Y bond lengths. Y is bonded in a 12-coordinate geometry to twelve Mg and four equivalent Y atoms. There are one shorter (3.65 Å) and three longer (3.72 Å) Y–Y bond lengths.},
doi = {10.17188/1188010},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}