U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ga4SiO8 by Materials Project
Abstract
Ga4SiO8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with two equivalent SiO6 octahedra, corners with five equivalent GaO4 tetrahedra, and edges with four equivalent GaO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Ga–O bond distances ranging from 1.93–2.12 Å. In the second Ga3+ site, Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with two equivalent SiO6 octahedra, corners with five equivalent GaO6 octahedra, and corners with two equivalent GaO4 tetrahedra. The corner-sharing octahedra tilt angles range from 55–70°. There are a spread of Ga–O bond distances ranging from 1.83–1.90 Å. Si4+ is bonded to six O2- atoms to form SiO6 octahedra that share corners with four equivalent GaO6 octahedra, corners with four equivalent GaO4 tetrahedra, and edges with two equivalent SiO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There is two shorter (1.73 Å) and four longer (1.90 Å) Si–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in amore »
- Publication Date:
- Other Number(s):
- mp-755053
- 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-O-Si; Ga4SiO8; crystal structure
- OSTI Identifier:
- 1289747
- DOI:
- https://doi.org/10.17188/1289747
Citation Formats
Materials Data on Ga4SiO8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1289747.
Materials Data on Ga4SiO8 by Materials Project. United States. doi:https://doi.org/10.17188/1289747
2020.
"Materials Data on Ga4SiO8 by Materials Project". United States. doi:https://doi.org/10.17188/1289747. https://www.osti.gov/servlets/purl/1289747. Pub date:Mon Jul 20 04:00:00 UTC 2020
@article{osti_1289747,
title = {Materials Data on Ga4SiO8 by Materials Project},
abstractNote = {Ga4SiO8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with two equivalent SiO6 octahedra, corners with five equivalent GaO4 tetrahedra, and edges with four equivalent GaO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Ga–O bond distances ranging from 1.93–2.12 Å. In the second Ga3+ site, Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with two equivalent SiO6 octahedra, corners with five equivalent GaO6 octahedra, and corners with two equivalent GaO4 tetrahedra. The corner-sharing octahedra tilt angles range from 55–70°. There are a spread of Ga–O bond distances ranging from 1.83–1.90 Å. Si4+ is bonded to six O2- atoms to form SiO6 octahedra that share corners with four equivalent GaO6 octahedra, corners with four equivalent GaO4 tetrahedra, and edges with two equivalent SiO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There is two shorter (1.73 Å) and four longer (1.90 Å) Si–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three Ga3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ga3+ and one Si4+ atom. In the third O2- site, O2- is bonded to four Ga3+ atoms to form a mixture of distorted edge and corner-sharing OGa4 tetrahedra. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to one Ga3+ and two equivalent Si4+ atoms.},
doi = {10.17188/1289747},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}