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Title: Materials Data on Mg6BC by Materials Project

Abstract

Mg6BC crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two Mg6BC sheets oriented in the (0, 1, 0) direction. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted bent 120 degrees geometry to one B and one C atom. The Mg–B bond length is 2.48 Å. The Mg–C bond length is 2.21 Å. In the second Mg site, Mg is bonded in an L-shaped geometry to two equivalent B atoms. Both Mg–B bond lengths are 2.83 Å. In the third Mg site, Mg is bonded in a water-like geometry to two equivalent B atoms. Both Mg–B bond lengths are 2.46 Å. In the fourth Mg site, Mg is bonded in a bent 120 degrees geometry to two equivalent C atoms. Both Mg–C bond lengths are 2.15 Å. B is bonded in a 8-coordinate geometry to eight Mg atoms. C is bonded in a 4-coordinate geometry to four Mg atoms.

Authors:
Publication Date:
Other Number(s):
mp-1100157
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; Mg6BC; B-C-Mg
OSTI Identifier:
1758534
DOI:
https://doi.org/10.17188/1758534

Citation Formats

The Materials Project. Materials Data on Mg6BC by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758534.
The Materials Project. Materials Data on Mg6BC by Materials Project. United States. doi:https://doi.org/10.17188/1758534
The Materials Project. 2020. "Materials Data on Mg6BC by Materials Project". United States. doi:https://doi.org/10.17188/1758534. https://www.osti.gov/servlets/purl/1758534. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758534,
title = {Materials Data on Mg6BC by Materials Project},
author = {The Materials Project},
abstractNote = {Mg6BC crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two Mg6BC sheets oriented in the (0, 1, 0) direction. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted bent 120 degrees geometry to one B and one C atom. The Mg–B bond length is 2.48 Å. The Mg–C bond length is 2.21 Å. In the second Mg site, Mg is bonded in an L-shaped geometry to two equivalent B atoms. Both Mg–B bond lengths are 2.83 Å. In the third Mg site, Mg is bonded in a water-like geometry to two equivalent B atoms. Both Mg–B bond lengths are 2.46 Å. In the fourth Mg site, Mg is bonded in a bent 120 degrees geometry to two equivalent C atoms. Both Mg–C bond lengths are 2.15 Å. B is bonded in a 8-coordinate geometry to eight Mg atoms. C is bonded in a 4-coordinate geometry to four Mg atoms.},
doi = {10.17188/1758534},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}