U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na4Ga3Si3BrO12 by Materials Project
Abstract
Na4Ga3Si3O12Br crystallizes in the cubic P-43n space group. The structure is three-dimensional. Na1+ is bonded to three equivalent O2- and one Br1- atom to form NaBrO3 tetrahedra that share corners with three equivalent NaBrO3 tetrahedra, corners with three equivalent GaO4 tetrahedra, and corners with three equivalent SiO4 tetrahedra. All Na–O bond lengths are 2.33 Å. The Na–Br bond length is 2.85 Å. Ga3+ is bonded to four equivalent O2- atoms to form GaO4 tetrahedra that share corners with four equivalent NaBrO3 tetrahedra and corners with four equivalent SiO4 tetrahedra. All Ga–O bond lengths are 1.85 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent NaBrO3 tetrahedra and corners with four equivalent GaO4 tetrahedra. All Si–O bond lengths are 1.65 Å. O2- is bonded in a distorted trigonal planar geometry to one Na1+, one Ga3+, and one Si4+ atom. Br1- is bonded in a tetrahedral geometry to four equivalent Na1+ atoms.
- Publication Date:
- Other Number(s):
- mp-23659
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Br-Ga-Na-O-Si; Na4Ga3Si3BrO12; crystal structure
- OSTI Identifier:
- 1199645
- DOI:
- https://doi.org/10.17188/1199645
Citation Formats
Materials Data on Na4Ga3Si3BrO12 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199645.
Materials Data on Na4Ga3Si3BrO12 by Materials Project. United States. doi:https://doi.org/10.17188/1199645
2020.
"Materials Data on Na4Ga3Si3BrO12 by Materials Project". United States. doi:https://doi.org/10.17188/1199645. https://www.osti.gov/servlets/purl/1199645. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1199645,
title = {Materials Data on Na4Ga3Si3BrO12 by Materials Project},
abstractNote = {Na4Ga3Si3O12Br crystallizes in the cubic P-43n space group. The structure is three-dimensional. Na1+ is bonded to three equivalent O2- and one Br1- atom to form NaBrO3 tetrahedra that share corners with three equivalent NaBrO3 tetrahedra, corners with three equivalent GaO4 tetrahedra, and corners with three equivalent SiO4 tetrahedra. All Na–O bond lengths are 2.33 Å. The Na–Br bond length is 2.85 Å. Ga3+ is bonded to four equivalent O2- atoms to form GaO4 tetrahedra that share corners with four equivalent NaBrO3 tetrahedra and corners with four equivalent SiO4 tetrahedra. All Ga–O bond lengths are 1.85 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent NaBrO3 tetrahedra and corners with four equivalent GaO4 tetrahedra. All Si–O bond lengths are 1.65 Å. O2- is bonded in a distorted trigonal planar geometry to one Na1+, one Ga3+, and one Si4+ atom. Br1- is bonded in a tetrahedral geometry to four equivalent Na1+ atoms.},
doi = {10.17188/1199645},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}