U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ba2SiO4 by Materials Project
Abstract
Ba2SiO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.71–3.17 Å. In the second Ba2+ site, Ba2+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.66–3.30 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.65 Å) and one longer (1.67 Å) Si–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five Ba2+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to five Ba2+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four Ba2+ and one Si4+ atom.
- Publication Date:
- Other Number(s):
- mp-17612
- 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; Ba2SiO4; crystal structure
- OSTI Identifier:
- 1192591
- DOI:
- https://doi.org/10.17188/1192591
Citation Formats
Materials Data on Ba2SiO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192591.
Materials Data on Ba2SiO4 by Materials Project. United States. doi:https://doi.org/10.17188/1192591
2020.
"Materials Data on Ba2SiO4 by Materials Project". United States. doi:https://doi.org/10.17188/1192591. https://www.osti.gov/servlets/purl/1192591. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1192591,
title = {Materials Data on Ba2SiO4 by Materials Project},
abstractNote = {Ba2SiO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.71–3.17 Å. In the second Ba2+ site, Ba2+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.66–3.30 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.65 Å) and one longer (1.67 Å) Si–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five Ba2+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to five Ba2+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four Ba2+ and one Si4+ atom.},
doi = {10.17188/1192591},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 24 00:00:00 EDT 2020},
month = {Fri Jul 24 00:00:00 EDT 2020}
}