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Title: Materials Data on Mg6CuC by Materials Project

Abstract

Mg6CuC crystallizes in the orthorhombic Amm2 space group. The structure is one-dimensional and consists of two Mg6CuC 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 2.30 Å. In the second Mg site, Mg is bonded in an L-shaped geometry to two equivalent C atoms. Both Mg–C bond lengths are 2.63 Å. In the third Mg site, Mg is bonded in an L-shaped geometry to two equivalent Cu atoms. Both Mg–Cu bond lengths are 2.57 Å. In the fourth Mg site, Mg is bonded in a distorted rectangular see-saw-like geometry to two equivalent Cu and two equivalent C atoms. Both Mg–Cu bond lengths are 2.69 Å. Both Mg–C bond lengths are 2.36 Å. Cu is bonded in a distorted rectangular see-saw-like geometry to four Mg atoms. C is bonded in a 8-coordinate geometry to eight Mg atoms.

Authors:
Publication Date:
Other Number(s):
mp-1022119
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; Mg6CuC; C-Cu-Mg
OSTI Identifier:
1731226
DOI:
https://doi.org/10.17188/1731226

Citation Formats

The Materials Project. Materials Data on Mg6CuC by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1731226.
The Materials Project. Materials Data on Mg6CuC by Materials Project. United States. doi:https://doi.org/10.17188/1731226
The Materials Project. 2020. "Materials Data on Mg6CuC by Materials Project". United States. doi:https://doi.org/10.17188/1731226. https://www.osti.gov/servlets/purl/1731226. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1731226,
title = {Materials Data on Mg6CuC by Materials Project},
author = {The Materials Project},
abstractNote = {Mg6CuC crystallizes in the orthorhombic Amm2 space group. The structure is one-dimensional and consists of two Mg6CuC 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 2.30 Å. In the second Mg site, Mg is bonded in an L-shaped geometry to two equivalent C atoms. Both Mg–C bond lengths are 2.63 Å. In the third Mg site, Mg is bonded in an L-shaped geometry to two equivalent Cu atoms. Both Mg–Cu bond lengths are 2.57 Å. In the fourth Mg site, Mg is bonded in a distorted rectangular see-saw-like geometry to two equivalent Cu and two equivalent C atoms. Both Mg–Cu bond lengths are 2.69 Å. Both Mg–C bond lengths are 2.36 Å. Cu is bonded in a distorted rectangular see-saw-like geometry to four Mg atoms. C is bonded in a 8-coordinate geometry to eight Mg atoms.},
doi = {10.17188/1731226},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}