U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KNaMg6 by Materials Project
Abstract
KNaMg6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. K is bonded to two equivalent Na and ten Mg atoms to form KNa2Mg10 cuboctahedra that share corners with six equivalent KNa2Mg10 cuboctahedra, edges with four equivalent NaK2Mg10 cuboctahedra, faces with two equivalent KNa2Mg10 cuboctahedra, faces with two equivalent NaK2Mg10 cuboctahedra, and faces with six equivalent MgNa2Mg10 cuboctahedra. Both K–Na bond lengths are 3.34 Å. There are a spread of K–Mg bond distances ranging from 3.41–3.47 Å. Na is bonded to two equivalent K and ten Mg atoms to form NaK2Mg10 cuboctahedra that share corners with four equivalent MgNa2Mg10 cuboctahedra, corners with six equivalent NaK2Mg10 cuboctahedra, edges with two equivalent MgNa2Mg10 cuboctahedra, edges with four equivalent KNa2Mg10 cuboctahedra, faces with two equivalent KNa2Mg10 cuboctahedra, faces with two equivalent NaK2Mg10 cuboctahedra, and faces with two equivalent MgNa2Mg10 cuboctahedra. There are a spread of Na–Mg bond distances ranging from 3.25–3.63 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent K, two equivalent Na, and six Mg atoms. There are a spread of Mg–Mg bond distances ranging from 3.26–3.48 Å. In the second Mg site, Mg is bondedmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1021304
- 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; KNaMg6; K-Mg-Na
- OSTI Identifier:
- 1651451
- DOI:
- https://doi.org/10.17188/1651451
Citation Formats
The Materials Project. Materials Data on KNaMg6 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1651451.
The Materials Project. Materials Data on KNaMg6 by Materials Project. United States. doi:https://doi.org/10.17188/1651451
The Materials Project. 2017.
"Materials Data on KNaMg6 by Materials Project". United States. doi:https://doi.org/10.17188/1651451. https://www.osti.gov/servlets/purl/1651451. Pub date:Thu Apr 13 00:00:00 EDT 2017
@article{osti_1651451,
title = {Materials Data on KNaMg6 by Materials Project},
author = {The Materials Project},
abstractNote = {KNaMg6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. K is bonded to two equivalent Na and ten Mg atoms to form KNa2Mg10 cuboctahedra that share corners with six equivalent KNa2Mg10 cuboctahedra, edges with four equivalent NaK2Mg10 cuboctahedra, faces with two equivalent KNa2Mg10 cuboctahedra, faces with two equivalent NaK2Mg10 cuboctahedra, and faces with six equivalent MgNa2Mg10 cuboctahedra. Both K–Na bond lengths are 3.34 Å. There are a spread of K–Mg bond distances ranging from 3.41–3.47 Å. Na is bonded to two equivalent K and ten Mg atoms to form NaK2Mg10 cuboctahedra that share corners with four equivalent MgNa2Mg10 cuboctahedra, corners with six equivalent NaK2Mg10 cuboctahedra, edges with two equivalent MgNa2Mg10 cuboctahedra, edges with four equivalent KNa2Mg10 cuboctahedra, faces with two equivalent KNa2Mg10 cuboctahedra, faces with two equivalent NaK2Mg10 cuboctahedra, and faces with two equivalent MgNa2Mg10 cuboctahedra. There are a spread of Na–Mg bond distances ranging from 3.25–3.63 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent K, two equivalent Na, and six Mg atoms. There are a spread of Mg–Mg bond distances ranging from 3.26–3.48 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent K and ten Mg atoms. There are four shorter (3.30 Å) and two longer (3.35 Å) Mg–Mg bond lengths. In the third Mg site, Mg is bonded in a 11-coordinate geometry to two equivalent K, two equivalent Na, and seven Mg atoms. There are a spread of Mg–Mg bond distances ranging from 3.19–3.45 Å. In the fourth Mg site, Mg is bonded to two equivalent Na and ten Mg atoms to form distorted MgNa2Mg10 cuboctahedra that share corners with four equivalent NaK2Mg10 cuboctahedra, corners with six equivalent MgNa2Mg10 cuboctahedra, edges with two equivalent NaK2Mg10 cuboctahedra, faces with two equivalent NaK2Mg10 cuboctahedra, faces with two equivalent MgNa2Mg10 cuboctahedra, and faces with six equivalent KNa2Mg10 cuboctahedra.},
doi = {10.17188/1651451},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 13 00:00:00 EDT 2017},
month = {Thu Apr 13 00:00:00 EDT 2017}
}