U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaSe2 by Materials Project
Abstract
BaSe2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded to eight equivalent Se1- atoms to form a mixture of corner and edge-sharing BaSe8 hexagonal bipyramids. There are a spread of Ba–Se bond distances ranging from 3.29–3.44 Å. Se1- is bonded in a 6-coordinate geometry to four equivalent Ba2+ and two equivalent Se1- atoms. There are one shorter (2.46 Å) and one longer (3.10 Å) Se–Se bond lengths.
- Publication Date:
- Other Number(s):
- mp-7547
- 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-Se; BaSe2; crystal structure
- OSTI Identifier:
- 1289525
- DOI:
- https://doi.org/10.17188/1289525
Citation Formats
Materials Data on BaSe2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1289525.
Materials Data on BaSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1289525
2020.
"Materials Data on BaSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1289525. https://www.osti.gov/servlets/purl/1289525. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1289525,
title = {Materials Data on BaSe2 by Materials Project},
abstractNote = {BaSe2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded to eight equivalent Se1- atoms to form a mixture of corner and edge-sharing BaSe8 hexagonal bipyramids. There are a spread of Ba–Se bond distances ranging from 3.29–3.44 Å. Se1- is bonded in a 6-coordinate geometry to four equivalent Ba2+ and two equivalent Se1- atoms. There are one shorter (2.46 Å) and one longer (3.10 Å) Se–Se bond lengths.},
doi = {10.17188/1289525},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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