U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaSi3SnO9 by Materials Project
Abstract
BaSnSi3O9 crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional. Ba2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Ba–O bond lengths are 2.80 Å. Sn4+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Sn–O bond lengths are 2.07 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent SnO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Ba2+, one Sn4+, and one Si4+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Si4+ atoms.
- Publication Date:
- Other Number(s):
- mp-18502
- 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; Ba-O-Si-Sn; BaSi3SnO9; crystal structure
- OSTI Identifier:
- 1193137
- DOI:
- https://doi.org/10.17188/1193137
Citation Formats
Materials Data on BaSi3SnO9 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1193137.
Materials Data on BaSi3SnO9 by Materials Project. United States. doi:https://doi.org/10.17188/1193137
2017.
"Materials Data on BaSi3SnO9 by Materials Project". United States. doi:https://doi.org/10.17188/1193137. https://www.osti.gov/servlets/purl/1193137. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1193137,
title = {Materials Data on BaSi3SnO9 by Materials Project},
abstractNote = {BaSnSi3O9 crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional. Ba2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Ba–O bond lengths are 2.80 Å. Sn4+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Sn–O bond lengths are 2.07 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent SnO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Ba2+, one Sn4+, and one Si4+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Si4+ atoms.},
doi = {10.17188/1193137},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}