U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ba3SiO by Materials Project
Abstract
Ba3SiO is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba2+ is bonded in a linear geometry to four equivalent Si4- and two equivalent O2- atoms. All Ba–Si bond lengths are 3.84 Å. Both Ba–O bond lengths are 2.71 Å. Si4- is bonded to twelve equivalent Ba2+ atoms to form SiBa12 cuboctahedra that share corners with twelve equivalent SiBa12 cuboctahedra, faces with six equivalent SiBa12 cuboctahedra, and faces with eight equivalent OBa6 octahedra. O2- is bonded to six equivalent Ba2+ atoms to form OBa6 octahedra that share corners with six equivalent OBa6 octahedra and faces with eight equivalent SiBa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-754940
- 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; Ba3SiO; crystal structure
- OSTI Identifier:
- 1289641
- DOI:
- https://doi.org/10.17188/1289641
Citation Formats
Materials Data on Ba3SiO by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1289641.
Materials Data on Ba3SiO by Materials Project. United States. doi:https://doi.org/10.17188/1289641
2020.
"Materials Data on Ba3SiO by Materials Project". United States. doi:https://doi.org/10.17188/1289641. https://www.osti.gov/servlets/purl/1289641. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1289641,
title = {Materials Data on Ba3SiO by Materials Project},
abstractNote = {Ba3SiO is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba2+ is bonded in a linear geometry to four equivalent Si4- and two equivalent O2- atoms. All Ba–Si bond lengths are 3.84 Å. Both Ba–O bond lengths are 2.71 Å. Si4- is bonded to twelve equivalent Ba2+ atoms to form SiBa12 cuboctahedra that share corners with twelve equivalent SiBa12 cuboctahedra, faces with six equivalent SiBa12 cuboctahedra, and faces with eight equivalent OBa6 octahedra. O2- is bonded to six equivalent Ba2+ atoms to form OBa6 octahedra that share corners with six equivalent OBa6 octahedra and faces with eight equivalent SiBa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1289641},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}