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Title: Materials Data on Mg6AlC by Materials Project

Abstract

Mg6AlC crystallizes in the orthorhombic Amm2 space group. The structure is one-dimensional and consists of two Mg6AlC 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 2.48 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 2.54 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Al atoms. Both Mg–Al bond lengths are 2.83 Å. In the fourth Mg site, Mg is bonded in a distorted water-like geometry to two equivalent Al and two equivalent C atoms. Both Mg–Al bond lengths are 2.92 Å. Both Mg–C bond lengths are 2.26 Å. Al is bonded in a 4-coordinate geometry to four Mg atoms. C is bonded in a 8-coordinate geometry to eight Mg atoms.

Publication Date:
Other Number(s):
mp-1023365
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Mg6AlC; Al-C-Mg
OSTI Identifier:
1651425
DOI:
https://doi.org/10.17188/1651425

Citation Formats

The Materials Project. Materials Data on Mg6AlC by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1651425.
The Materials Project. Materials Data on Mg6AlC by Materials Project. United States. doi:https://doi.org/10.17188/1651425
The Materials Project. 2020. "Materials Data on Mg6AlC by Materials Project". United States. doi:https://doi.org/10.17188/1651425. https://www.osti.gov/servlets/purl/1651425. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1651425,
title = {Materials Data on Mg6AlC by Materials Project},
author = {The Materials Project},
abstractNote = {Mg6AlC crystallizes in the orthorhombic Amm2 space group. The structure is one-dimensional and consists of two Mg6AlC 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 2.48 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 2.54 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Al atoms. Both Mg–Al bond lengths are 2.83 Å. In the fourth Mg site, Mg is bonded in a distorted water-like geometry to two equivalent Al and two equivalent C atoms. Both Mg–Al bond lengths are 2.92 Å. Both Mg–C bond lengths are 2.26 Å. Al is bonded in a 4-coordinate geometry to four Mg atoms. C is bonded in a 8-coordinate geometry to eight Mg atoms.},
doi = {10.17188/1651425},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}