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Title: Materials Data on Mg6ZnC by Materials Project

Abstract

Mg6ZnC crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in an L-shaped geometry to one Zn and two equivalent C atoms. The Mg–Zn bond length is 3.16 Å. Both Mg–C bond lengths are 2.47 Å. In the second Mg site, Mg is bonded in a water-like geometry to two equivalent C atoms. Both Mg–C bond lengths are 2.25 Å. In the third Mg site, Mg is bonded in a 3-coordinate geometry to two equivalent Zn and one C atom. Both Mg–Zn bond lengths are 2.67 Å. The Mg–C bond length is 2.62 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Zn atoms. Both Mg–Zn bond lengths are 2.82 Å. Zn is bonded in a 8-coordinate geometry to eight Mg atoms. C is bonded in a 8-coordinate geometry to eight Mg atoms.

Authors:
Publication Date:
Other Number(s):
mp-1022576
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; Mg6ZnC; C-Mg-Zn
OSTI Identifier:
1651810
DOI:
https://doi.org/10.17188/1651810

Citation Formats

The Materials Project. Materials Data on Mg6ZnC by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1651810.
The Materials Project. Materials Data on Mg6ZnC by Materials Project. United States. doi:https://doi.org/10.17188/1651810
The Materials Project. 2018. "Materials Data on Mg6ZnC by Materials Project". United States. doi:https://doi.org/10.17188/1651810. https://www.osti.gov/servlets/purl/1651810. Pub date:Thu May 17 00:00:00 EDT 2018
@article{osti_1651810,
title = {Materials Data on Mg6ZnC by Materials Project},
author = {The Materials Project},
abstractNote = {Mg6ZnC crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in an L-shaped geometry to one Zn and two equivalent C atoms. The Mg–Zn bond length is 3.16 Å. Both Mg–C bond lengths are 2.47 Å. In the second Mg site, Mg is bonded in a water-like geometry to two equivalent C atoms. Both Mg–C bond lengths are 2.25 Å. In the third Mg site, Mg is bonded in a 3-coordinate geometry to two equivalent Zn and one C atom. Both Mg–Zn bond lengths are 2.67 Å. The Mg–C bond length is 2.62 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Zn atoms. Both Mg–Zn bond lengths are 2.82 Å. Zn is bonded in a 8-coordinate geometry to eight Mg atoms. C is bonded in a 8-coordinate geometry to eight Mg atoms.},
doi = {10.17188/1651810},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {5}
}