Materials Data on BaSiF6 by Materials Project
Abstract
BaSiF6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent F1- atoms to form BaF12 cuboctahedra that share corners with six equivalent SiF6 octahedra, edges with six equivalent BaF12 cuboctahedra, and faces with two equivalent SiF6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are six shorter (2.85 Å) and six longer (2.89 Å) Ba–F bond lengths. Si4+ is bonded to six equivalent F1- atoms to form SiF6 octahedra that share corners with six equivalent BaF12 cuboctahedra and faces with two equivalent BaF12 cuboctahedra. All Si–F bond lengths are 1.72 Å. F1- is bonded in a single-bond geometry to two equivalent Ba2+ and one Si4+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-5588
- 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; BaSiF6; Ba-F-Si
- OSTI Identifier:
- 1270502
- DOI:
- https://doi.org/10.17188/1270502
Citation Formats
The Materials Project. Materials Data on BaSiF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1270502.
The Materials Project. Materials Data on BaSiF6 by Materials Project. United States. doi:https://doi.org/10.17188/1270502
The Materials Project. 2020.
"Materials Data on BaSiF6 by Materials Project". United States. doi:https://doi.org/10.17188/1270502. https://www.osti.gov/servlets/purl/1270502. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1270502,
title = {Materials Data on BaSiF6 by Materials Project},
author = {The Materials Project},
abstractNote = {BaSiF6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent F1- atoms to form BaF12 cuboctahedra that share corners with six equivalent SiF6 octahedra, edges with six equivalent BaF12 cuboctahedra, and faces with two equivalent SiF6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are six shorter (2.85 Å) and six longer (2.89 Å) Ba–F bond lengths. Si4+ is bonded to six equivalent F1- atoms to form SiF6 octahedra that share corners with six equivalent BaF12 cuboctahedra and faces with two equivalent BaF12 cuboctahedra. All Si–F bond lengths are 1.72 Å. F1- is bonded in a single-bond geometry to two equivalent Ba2+ and one Si4+ atom.},
doi = {10.17188/1270502},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
Works referencing / citing this record:
Luminescence characteristics of rare-earth-doped barium hexafluorogermanate BaGeF 6 nanowires: fast subnanosecond decay time and high sensitivity in H 2 O 2 detection
journal, January 2018
- George, Gibin; Simpson, Machael D.; Gautam, Bhoj R.
- RSC Advances, Vol. 8, Issue 69