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

Title: Materials Data on Mg6CoC by Materials Project

Abstract

Mg6CoC crystallizes in the orthorhombic Amm2 space group. The structure is one-dimensional and consists of two Mg6CoC ribbons oriented in the (0, 0, 1) direction. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a single-bond geometry to one C atom. The Mg–C bond length is 2.25 Å. In the second Mg site, Mg is bonded in a distorted L-shaped geometry to two equivalent C atoms. Both Mg–C bond lengths are 2.73 Å. In the third Mg site, Mg is bonded in a distorted water-like geometry to two equivalent Co atoms. Both Mg–Co bond lengths are 2.54 Å. In the fourth Mg site, Mg is bonded in a distorted rectangular see-saw-like geometry to two equivalent Co and two equivalent C atoms. Both Mg–Co bond lengths are 2.60 Å. Both Mg–C bond lengths are 2.37 Å. Co is bonded to four Mg atoms to form distorted edge-sharing CoMg4 cuboctahedra. C is bonded in a 8-coordinate geometry to eight Mg atoms.

Authors:
Publication Date:
Other Number(s):
mp-1022081
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; Mg6CoC; C-Co-Mg
OSTI Identifier:
1685308
DOI:
https://doi.org/10.17188/1685308

Citation Formats

The Materials Project. Materials Data on Mg6CoC by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685308.
The Materials Project. Materials Data on Mg6CoC by Materials Project. United States. doi:https://doi.org/10.17188/1685308
The Materials Project. 2020. "Materials Data on Mg6CoC by Materials Project". United States. doi:https://doi.org/10.17188/1685308. https://www.osti.gov/servlets/purl/1685308. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1685308,
title = {Materials Data on Mg6CoC by Materials Project},
author = {The Materials Project},
abstractNote = {Mg6CoC crystallizes in the orthorhombic Amm2 space group. The structure is one-dimensional and consists of two Mg6CoC ribbons oriented in the (0, 0, 1) direction. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a single-bond geometry to one C atom. The Mg–C bond length is 2.25 Å. In the second Mg site, Mg is bonded in a distorted L-shaped geometry to two equivalent C atoms. Both Mg–C bond lengths are 2.73 Å. In the third Mg site, Mg is bonded in a distorted water-like geometry to two equivalent Co atoms. Both Mg–Co bond lengths are 2.54 Å. In the fourth Mg site, Mg is bonded in a distorted rectangular see-saw-like geometry to two equivalent Co and two equivalent C atoms. Both Mg–Co bond lengths are 2.60 Å. Both Mg–C bond lengths are 2.37 Å. Co is bonded to four Mg atoms to form distorted edge-sharing CoMg4 cuboctahedra. C is bonded in a 8-coordinate geometry to eight Mg atoms.},
doi = {10.17188/1685308},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}