U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on YMg14Sn by Materials Project
Abstract
Mg14YSn crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg and two equivalent Y atoms to form MgY2Mg10 cuboctahedra that share corners with four equivalent SnMg12 cuboctahedra, corners with fourteen MgY2Mg10 cuboctahedra, edges with two equivalent YMg12 cuboctahedra, edges with sixteen MgY2Mg10 cuboctahedra, faces with two equivalent YMg12 cuboctahedra, and faces with eighteen MgY2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.16–3.30 Å. Both Mg–Y bond lengths are 3.23 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent Sn atoms to form distorted MgMg10Sn2 cuboctahedra that share corners with four equivalent YMg12 cuboctahedra, corners with fourteen MgY2Mg10 cuboctahedra, edges with two equivalent SnMg12 cuboctahedra, edges with sixteen MgMg10Sn2 cuboctahedra, faces with two equivalent SnMg12 cuboctahedra, and faces with eighteen MgY2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.20–3.27 Å. Both Mg–Sn bond lengths are 3.23 Å. In the third Mg site, Mg is bonded to ten Mg and two equivalent Y atoms to form MgY2Mg10 cuboctahedra that share corners with four equivalent SnMg12 cuboctahedra, corners with fourteenmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1028028
- 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; YMg14Sn; Mg-Sn-Y
- OSTI Identifier:
- 1672625
- DOI:
- https://doi.org/10.17188/1672625
Citation Formats
The Materials Project. Materials Data on YMg14Sn by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1672625.
The Materials Project. Materials Data on YMg14Sn by Materials Project. United States. doi:https://doi.org/10.17188/1672625
The Materials Project. 2017.
"Materials Data on YMg14Sn by Materials Project". United States. doi:https://doi.org/10.17188/1672625. https://www.osti.gov/servlets/purl/1672625. Pub date:Wed May 17 00:00:00 EDT 2017
@article{osti_1672625,
title = {Materials Data on YMg14Sn by Materials Project},
author = {The Materials Project},
abstractNote = {Mg14YSn crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg and two equivalent Y atoms to form MgY2Mg10 cuboctahedra that share corners with four equivalent SnMg12 cuboctahedra, corners with fourteen MgY2Mg10 cuboctahedra, edges with two equivalent YMg12 cuboctahedra, edges with sixteen MgY2Mg10 cuboctahedra, faces with two equivalent YMg12 cuboctahedra, and faces with eighteen MgY2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.16–3.30 Å. Both Mg–Y bond lengths are 3.23 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent Sn atoms to form distorted MgMg10Sn2 cuboctahedra that share corners with four equivalent YMg12 cuboctahedra, corners with fourteen MgY2Mg10 cuboctahedra, edges with two equivalent SnMg12 cuboctahedra, edges with sixteen MgMg10Sn2 cuboctahedra, faces with two equivalent SnMg12 cuboctahedra, and faces with eighteen MgY2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.20–3.27 Å. Both Mg–Sn bond lengths are 3.23 Å. In the third Mg site, Mg is bonded to ten Mg and two equivalent Y atoms to form MgY2Mg10 cuboctahedra that share corners with four equivalent SnMg12 cuboctahedra, corners with fourteen MgMg10Sn2 cuboctahedra, edges with two equivalent YMg12 cuboctahedra, edges with sixteen MgY2Mg10 cuboctahedra, faces with two equivalent YMg12 cuboctahedra, and faces with eighteen MgY2Mg10 cuboctahedra. There are two shorter (3.18 Å) and four longer (3.22 Å) Mg–Mg bond lengths. Both Mg–Y bond lengths are 3.23 Å. In the fourth Mg site, Mg is bonded to ten Mg, one Y, and one Sn atom to form distorted MgYMg10Sn cuboctahedra that share corners with eighteen MgMg12 cuboctahedra, edges with two equivalent YMg12 cuboctahedra, edges with two equivalent SnMg12 cuboctahedra, edges with fourteen MgY2Mg10 cuboctahedra, a faceface with one YMg12 cuboctahedra, a faceface with one SnMg12 cuboctahedra, and faces with eighteen MgY2Mg10 cuboctahedra. All Mg–Mg bond lengths are 3.23 Å. The Mg–Y bond length is 3.23 Å. The Mg–Sn bond length is 3.21 Å. In the fifth Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with eighteen MgMg12 cuboctahedra, edges with eighteen MgY2Mg10 cuboctahedra, faces with three equivalent YMg12 cuboctahedra, faces with three equivalent SnMg12 cuboctahedra, and faces with fourteen MgY2Mg10 cuboctahedra. Y is bonded to twelve Mg atoms to form YMg12 cuboctahedra that share corners with six equivalent YMg12 cuboctahedra, corners with twelve equivalent MgMg10Sn2 cuboctahedra, edges with eighteen MgY2Mg10 cuboctahedra, faces with two equivalent SnMg12 cuboctahedra, and faces with eighteen MgY2Mg10 cuboctahedra. Sn is bonded to twelve Mg atoms to form SnMg12 cuboctahedra that share corners with six equivalent SnMg12 cuboctahedra, corners with twelve MgY2Mg10 cuboctahedra, edges with eighteen MgMg10Sn2 cuboctahedra, faces with two equivalent YMg12 cuboctahedra, and faces with eighteen MgMg10Sn2 cuboctahedra.},
doi = {10.17188/1672625},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}