DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on NaMg6C by Materials Project

Abstract

NaMg6C crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Na is bonded in a 10-coordinate geometry to eight Mg atoms. There are a spread of Na–Mg bond distances ranging from 3.30–3.44 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a water-like geometry to one Na, two equivalent Mg, and two equivalent C atoms. Both Mg–Mg bond lengths are 2.94 Å. Both Mg–C bond lengths are 2.29 Å. In the second Mg site, Mg is bonded to two equivalent Na and six Mg atoms to form a mixture of distorted face and corner-sharing MgNa2Mg6 hexagonal bipyramids. There are two shorter (2.97 Å) and four longer (3.09 Å) Mg–Mg bond lengths. In the third Mg site, Mg is bonded in a single-bond geometry to two equivalent Na, two equivalent Mg, and one C atom. The Mg–C bond length is 2.40 Å. In the fourth Mg site, Mg is bonded in a 6-coordinate geometry to six Mg atoms. C is bonded in a 6-coordinate geometry to six Mg atoms.

Authors:
Publication Date:
Other Number(s):
mp-1017340
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; NaMg6C; C-Mg-Na
OSTI Identifier:
1676354
DOI:
https://doi.org/10.17188/1676354

Citation Formats

The Materials Project. Materials Data on NaMg6C by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1676354.
The Materials Project. Materials Data on NaMg6C by Materials Project. United States. doi:https://doi.org/10.17188/1676354
The Materials Project. 2017. "Materials Data on NaMg6C by Materials Project". United States. doi:https://doi.org/10.17188/1676354. https://www.osti.gov/servlets/purl/1676354. Pub date:Mon Apr 03 00:00:00 EDT 2017
@article{osti_1676354,
title = {Materials Data on NaMg6C by Materials Project},
author = {The Materials Project},
abstractNote = {NaMg6C crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Na is bonded in a 10-coordinate geometry to eight Mg atoms. There are a spread of Na–Mg bond distances ranging from 3.30–3.44 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a water-like geometry to one Na, two equivalent Mg, and two equivalent C atoms. Both Mg–Mg bond lengths are 2.94 Å. Both Mg–C bond lengths are 2.29 Å. In the second Mg site, Mg is bonded to two equivalent Na and six Mg atoms to form a mixture of distorted face and corner-sharing MgNa2Mg6 hexagonal bipyramids. There are two shorter (2.97 Å) and four longer (3.09 Å) Mg–Mg bond lengths. In the third Mg site, Mg is bonded in a single-bond geometry to two equivalent Na, two equivalent Mg, and one C atom. The Mg–C bond length is 2.40 Å. In the fourth Mg site, Mg is bonded in a 6-coordinate geometry to six Mg atoms. C is bonded in a 6-coordinate geometry to six Mg atoms.},
doi = {10.17188/1676354},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {4}
}