U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaMgSi by Materials Project
Abstract
BaMgSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded to five equivalent Si4- atoms to form distorted BaSi5 trigonal bipyramids that share corners with eight equivalent MgSi4 tetrahedra, corners with eight equivalent BaSi5 trigonal bipyramids, edges with six equivalent MgSi4 tetrahedra, and edges with six equivalent BaSi5 trigonal bipyramids. There are a spread of Ba–Si bond distances ranging from 3.39–3.55 Å. Mg2+ is bonded to four equivalent Si4- atoms to form MgSi4 tetrahedra that share corners with eight equivalent MgSi4 tetrahedra, corners with eight equivalent BaSi5 trigonal bipyramids, edges with two equivalent MgSi4 tetrahedra, and edges with six equivalent BaSi5 trigonal bipyramids. There are a spread of Mg–Si bond distances ranging from 2.84–3.14 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Ba2+ and four equivalent Mg2+ atoms.
- Publication Date:
- Other Number(s):
- mp-1103039
- 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-Mg-Si; BaMgSi; crystal structure
- OSTI Identifier:
- 1685436
- DOI:
- https://doi.org/10.17188/1685436
Citation Formats
Materials Data on BaMgSi by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1685436.
Materials Data on BaMgSi by Materials Project. United States. doi:https://doi.org/10.17188/1685436
2020.
"Materials Data on BaMgSi by Materials Project". United States. doi:https://doi.org/10.17188/1685436. https://www.osti.gov/servlets/purl/1685436. Pub date:Sun May 03 20:00:00 EDT 2020
@article{osti_1685436,
title = {Materials Data on BaMgSi by Materials Project},
abstractNote = {BaMgSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded to five equivalent Si4- atoms to form distorted BaSi5 trigonal bipyramids that share corners with eight equivalent MgSi4 tetrahedra, corners with eight equivalent BaSi5 trigonal bipyramids, edges with six equivalent MgSi4 tetrahedra, and edges with six equivalent BaSi5 trigonal bipyramids. There are a spread of Ba–Si bond distances ranging from 3.39–3.55 Å. Mg2+ is bonded to four equivalent Si4- atoms to form MgSi4 tetrahedra that share corners with eight equivalent MgSi4 tetrahedra, corners with eight equivalent BaSi5 trigonal bipyramids, edges with two equivalent MgSi4 tetrahedra, and edges with six equivalent BaSi5 trigonal bipyramids. There are a spread of Mg–Si bond distances ranging from 2.84–3.14 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Ba2+ and four equivalent Mg2+ atoms.},
doi = {10.17188/1685436},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}