U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na3Ga3Si3O16 by Materials Project
Abstract
Na3Ga3Si3O16 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Na is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Na–O bond distances ranging from 2.29–2.62 Å. Ga is bonded to four O atoms to form GaO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.82–1.86 Å. Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with four equivalent GaO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.65 Å. There are six inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three equivalent O atoms. All O–O bond lengths are 1.35 Å. In the second O site, O is bonded in a T-shaped geometry to two equivalent Na and one O atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Ga and one Si atom. In the fourth O site, O is bonded in a distorted trigonal planar geometry to one Na, one Ga, and one Si atom. In the fifth O site, O ismore »
- Publication Date:
- Other Number(s):
- mp-1221494
- 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; Ga-Na-O-Si; Na3Ga3Si3O16; crystal structure
- OSTI Identifier:
- 1706885
- DOI:
- https://doi.org/10.17188/1706885
Citation Formats
Materials Data on Na3Ga3Si3O16 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1706885.
Materials Data on Na3Ga3Si3O16 by Materials Project. United States. doi:https://doi.org/10.17188/1706885
2020.
"Materials Data on Na3Ga3Si3O16 by Materials Project". United States. doi:https://doi.org/10.17188/1706885. https://www.osti.gov/servlets/purl/1706885. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1706885,
title = {Materials Data on Na3Ga3Si3O16 by Materials Project},
abstractNote = {Na3Ga3Si3O16 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Na is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Na–O bond distances ranging from 2.29–2.62 Å. Ga is bonded to four O atoms to form GaO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.82–1.86 Å. Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with four equivalent GaO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.65 Å. There are six inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three equivalent O atoms. All O–O bond lengths are 1.35 Å. In the second O site, O is bonded in a T-shaped geometry to two equivalent Na and one O atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Ga and one Si atom. In the fourth O site, O is bonded in a distorted trigonal planar geometry to one Na, one Ga, and one Si atom. In the fifth O site, O is bonded in a distorted trigonal planar geometry to one Na, one Ga, and one Si atom. In the sixth O site, O is bonded in a trigonal planar geometry to one Na, one Ga, and one Si atom.},
doi = {10.17188/1706885},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}