U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg3B(OF)3 by Materials Project
Abstract
Mg3BO3F3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Mg2+ is bonded to three equivalent O2- and three equivalent F1- atoms to form a mixture of edge and corner-sharing MgO3F3 octahedra. The corner-sharing octahedral tilt angles are 57°. There are one shorter (2.11 Å) and two longer (2.14 Å) Mg–O bond lengths. There is one shorter (1.97 Å) and two longer (2.01 Å) Mg–F bond length. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.40 Å. O2- is bonded in a 4-coordinate geometry to three equivalent Mg2+ and one B3+ atom. F1- is bonded in a trigonal planar geometry to three equivalent Mg2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-554542
- 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; Mg3B(OF)3; B-F-Mg-O
- OSTI Identifier:
- 1267944
- DOI:
- https://doi.org/10.17188/1267944
Citation Formats
The Materials Project. Materials Data on Mg3B(OF)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1267944.
The Materials Project. Materials Data on Mg3B(OF)3 by Materials Project. United States. doi:https://doi.org/10.17188/1267944
The Materials Project. 2020.
"Materials Data on Mg3B(OF)3 by Materials Project". United States. doi:https://doi.org/10.17188/1267944. https://www.osti.gov/servlets/purl/1267944. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1267944,
title = {Materials Data on Mg3B(OF)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg3BO3F3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Mg2+ is bonded to three equivalent O2- and three equivalent F1- atoms to form a mixture of edge and corner-sharing MgO3F3 octahedra. The corner-sharing octahedral tilt angles are 57°. There are one shorter (2.11 Å) and two longer (2.14 Å) Mg–O bond lengths. There is one shorter (1.97 Å) and two longer (2.01 Å) Mg–F bond length. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.40 Å. O2- is bonded in a 4-coordinate geometry to three equivalent Mg2+ and one B3+ atom. F1- is bonded in a trigonal planar geometry to three equivalent Mg2+ atoms.},
doi = {10.17188/1267944},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.