Materials Data on MgB4 by Materials Project
MgB4 is Magnesium tetraboride structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg is bonded in a 1-coordinate geometry to eleven B atoms. There are a spread of Mg–B bond distances ranging from 2.37–2.77 Å. There are three inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to two equivalent Mg and six B atoms. There are a spread of B–B bond distances ranging from 1.75–1.83 Å. In the second B site, B is bonded in a 7-coordinate geometry to three equivalent Mg and four B atoms. Both B–B bond lengths are 1.71 Å. In the third B site, B is bonded in a 8-coordinate geometry to three equivalent Mg and five B atoms. There is one shorter (1.69 Å) and one longer (1.80 Å) B–B bond length.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1207184
- Report Number(s):
- mp-365
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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