U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na4Si3(SnO6)2 by Materials Project
Abstract
Na4Si3(SnO6)2 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Na–O bond lengths are 2.48 Å. In the second Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.51–3.00 Å. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six equivalent SiO4 tetrahedra. There are three shorter (2.04 Å) and three longer (2.10 Å) Sn–O bond lengths. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 31–39°. There is two shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Na1+, one Sn4+, and one Si4+ atom. In the second O2- site, O2- is bonded to three Na1+, one Sn4+, and one Si4+ atom to form a mixture of distorted corner, edge, andmore »
- Publication Date:
- Other Number(s):
- mp-554853
- 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; Na-O-Si-Sn; Na4Si3(SnO6)2; crystal structure
- OSTI Identifier:
- 1268199
- DOI:
- https://doi.org/10.17188/1268199
Citation Formats
Materials Data on Na4Si3(SnO6)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1268199.
Materials Data on Na4Si3(SnO6)2 by Materials Project. United States. doi:https://doi.org/10.17188/1268199
2020.
"Materials Data on Na4Si3(SnO6)2 by Materials Project". United States. doi:https://doi.org/10.17188/1268199. https://www.osti.gov/servlets/purl/1268199. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1268199,
title = {Materials Data on Na4Si3(SnO6)2 by Materials Project},
abstractNote = {Na4Si3(SnO6)2 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Na–O bond lengths are 2.48 Å. In the second Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.51–3.00 Å. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six equivalent SiO4 tetrahedra. There are three shorter (2.04 Å) and three longer (2.10 Å) Sn–O bond lengths. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 31–39°. There is two shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Na1+, one Sn4+, and one Si4+ atom. In the second O2- site, O2- is bonded to three Na1+, one Sn4+, and one Si4+ atom to form a mixture of distorted corner, edge, and face-sharing ONa3SiSn trigonal bipyramids.},
doi = {10.17188/1268199},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}