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Title: Materials Data on MgB7 by Materials Project

Abstract

MgB7 is Magnesium tetraboride-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to twelve B atoms. There are a spread of Mg–B bond distances ranging from 2.18–2.45 Å. In the second Mg site, Mg is bonded in a 6-coordinate geometry to fourteen B atoms. There are a spread of Mg–B bond distances ranging from 2.34–2.85 Å. There are five inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three Mg and three B atoms. There is two shorter (1.75 Å) and one longer (1.80 Å) B–B bond length. In the second B site, B is bonded in a 8-coordinate geometry to two Mg and six B atoms. There are a spread of B–B bond distances ranging from 1.78–1.85 Å. In the third B site, B is bonded in a 8-coordinate geometry to two equivalent Mg and six B atoms. There is two shorter (1.79 Å) and one longer (1.85 Å) B–B bond length. In the fourth B site, B is bonded in a 6-coordinate geometry to six B atoms. Theremore » is one shorter (1.76 Å) and two longer (1.81 Å) B–B bond length. In the fifth B site, B is bonded in a 8-coordinate geometry to two equivalent Mg and six B atoms. There is one shorter (1.81 Å) and one longer (1.86 Å) B–B bond length.« less

Authors:
Publication Date:
Other Number(s):
mp-978275
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; MgB7; B-Mg
OSTI Identifier:
1315890
DOI:
https://doi.org/10.17188/1315890

Citation Formats

The Materials Project. Materials Data on MgB7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1315890.
The Materials Project. Materials Data on MgB7 by Materials Project. United States. doi:https://doi.org/10.17188/1315890
The Materials Project. 2020. "Materials Data on MgB7 by Materials Project". United States. doi:https://doi.org/10.17188/1315890. https://www.osti.gov/servlets/purl/1315890. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1315890,
title = {Materials Data on MgB7 by Materials Project},
author = {The Materials Project},
abstractNote = {MgB7 is Magnesium tetraboride-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to twelve B atoms. There are a spread of Mg–B bond distances ranging from 2.18–2.45 Å. In the second Mg site, Mg is bonded in a 6-coordinate geometry to fourteen B atoms. There are a spread of Mg–B bond distances ranging from 2.34–2.85 Å. There are five inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three Mg and three B atoms. There is two shorter (1.75 Å) and one longer (1.80 Å) B–B bond length. In the second B site, B is bonded in a 8-coordinate geometry to two Mg and six B atoms. There are a spread of B–B bond distances ranging from 1.78–1.85 Å. In the third B site, B is bonded in a 8-coordinate geometry to two equivalent Mg and six B atoms. There is two shorter (1.79 Å) and one longer (1.85 Å) B–B bond length. In the fourth B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.76 Å) and two longer (1.81 Å) B–B bond length. In the fifth B site, B is bonded in a 8-coordinate geometry to two equivalent Mg and six B atoms. There is one shorter (1.81 Å) and one longer (1.86 Å) B–B bond length.},
doi = {10.17188/1315890},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}