U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NdMg12 by Materials Project
Abstract
Mg12Nd crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted q6 geometry to ten Mg and two equivalent Nd atoms. There are a spread of Mg–Mg bond distances ranging from 2.99–3.31 Å. Both Mg–Nd bond lengths are 3.74 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to nine Mg and one Nd atom. There are one shorter (3.01 Å) and four longer (3.15 Å) Mg–Mg bond lengths. The Mg–Nd bond length is 3.61 Å. In the third Mg site, Mg is bonded to ten Mg and two equivalent Nd atoms to form a mixture of distorted face, edge, and corner-sharing MgNd2Mg10 cuboctahedra. Both Mg–Mg bond lengths are 3.01 Å. Both Mg–Nd bond lengths are 3.92 Å. Nd is bonded in a 12-coordinate geometry to twenty Mg atoms.
- Publication Date:
- Other Number(s):
- mp-30772
- 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-Nd; NdMg12; crystal structure
- OSTI Identifier:
- 1205133
- DOI:
- https://doi.org/10.17188/1205133
Citation Formats
Materials Data on NdMg12 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1205133.
Materials Data on NdMg12 by Materials Project. United States. doi:https://doi.org/10.17188/1205133
2020.
"Materials Data on NdMg12 by Materials Project". United States. doi:https://doi.org/10.17188/1205133. https://www.osti.gov/servlets/purl/1205133. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1205133,
title = {Materials Data on NdMg12 by Materials Project},
abstractNote = {Mg12Nd crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted q6 geometry to ten Mg and two equivalent Nd atoms. There are a spread of Mg–Mg bond distances ranging from 2.99–3.31 Å. Both Mg–Nd bond lengths are 3.74 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to nine Mg and one Nd atom. There are one shorter (3.01 Å) and four longer (3.15 Å) Mg–Mg bond lengths. The Mg–Nd bond length is 3.61 Å. In the third Mg site, Mg is bonded to ten Mg and two equivalent Nd atoms to form a mixture of distorted face, edge, and corner-sharing MgNd2Mg10 cuboctahedra. Both Mg–Mg bond lengths are 3.01 Å. Both Mg–Nd bond lengths are 3.92 Å. Nd is bonded in a 12-coordinate geometry to twenty Mg atoms.},
doi = {10.17188/1205133},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}