U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaMgSi by Materials Project
Abstract
BaMgSi is Matlockite structured and crystallizes in the tetragonal P4/nmm 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 twelve equivalent MgSi4 tetrahedra, corners with four equivalent BaSi5 trigonal bipyramids, edges with four equivalent MgSi4 tetrahedra, and edges with eight equivalent BaSi5 trigonal bipyramids. There are four shorter (3.46 Å) and one longer (3.63 Å) Ba–Si bond lengths. Mg2+ is bonded to four equivalent Si4- atoms to form MgSi4 tetrahedra that share corners with four equivalent MgSi4 tetrahedra, corners with twelve equivalent BaSi5 trigonal bipyramids, edges with four equivalent MgSi4 tetrahedra, and edges with four equivalent BaSi5 trigonal bipyramids. All Mg–Si bond lengths are 2.83 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Ba2+ and four equivalent Mg2+ atoms.
- Publication Date:
- Other Number(s):
- mp-9934
- 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:
- 1316995
- DOI:
- https://doi.org/10.17188/1316995
Citation Formats
Materials Data on BaMgSi by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316995.
Materials Data on BaMgSi by Materials Project. United States. doi:https://doi.org/10.17188/1316995
2020.
"Materials Data on BaMgSi by Materials Project". United States. doi:https://doi.org/10.17188/1316995. https://www.osti.gov/servlets/purl/1316995. Pub date:Wed Jul 15 20:00:00 EDT 2020
@article{osti_1316995,
title = {Materials Data on BaMgSi by Materials Project},
abstractNote = {BaMgSi is Matlockite structured and crystallizes in the tetragonal P4/nmm 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 twelve equivalent MgSi4 tetrahedra, corners with four equivalent BaSi5 trigonal bipyramids, edges with four equivalent MgSi4 tetrahedra, and edges with eight equivalent BaSi5 trigonal bipyramids. There are four shorter (3.46 Å) and one longer (3.63 Å) Ba–Si bond lengths. Mg2+ is bonded to four equivalent Si4- atoms to form MgSi4 tetrahedra that share corners with four equivalent MgSi4 tetrahedra, corners with twelve equivalent BaSi5 trigonal bipyramids, edges with four equivalent MgSi4 tetrahedra, and edges with four equivalent BaSi5 trigonal bipyramids. All Mg–Si bond lengths are 2.83 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Ba2+ and four equivalent Mg2+ atoms.},
doi = {10.17188/1316995},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}