U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KBa4Bi3O by Materials Project
Abstract
KBa4Bi3O crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. K is bonded in a square co-planar geometry to four equivalent Bi atoms. All K–Bi bond lengths are 3.64 Å. Ba is bonded in a single-bond geometry to five Bi and one O atom. There are a spread of Ba–Bi bond distances ranging from 3.66–3.92 Å. The Ba–O bond length is 2.57 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to two equivalent K, six equivalent Ba, and one Bi atom. The Bi–Bi bond length is 3.11 Å. In the second Bi site, Bi is bonded in a 10-coordinate geometry to eight equivalent Ba atoms. O is bonded in a tetrahedral geometry to four equivalent Ba atoms.
- Publication Date:
- Other Number(s):
- mp-23571
- 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-Bi-K-O; KBa4Bi3O; crystal structure
- OSTI Identifier:
- 1199599
- DOI:
- https://doi.org/10.17188/1199599
Citation Formats
Materials Data on KBa4Bi3O by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199599.
Materials Data on KBa4Bi3O by Materials Project. United States. doi:https://doi.org/10.17188/1199599
2020.
"Materials Data on KBa4Bi3O by Materials Project". United States. doi:https://doi.org/10.17188/1199599. https://www.osti.gov/servlets/purl/1199599. Pub date:Fri Jul 24 04:00:00 UTC 2020
@article{osti_1199599,
title = {Materials Data on KBa4Bi3O by Materials Project},
abstractNote = {KBa4Bi3O crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. K is bonded in a square co-planar geometry to four equivalent Bi atoms. All K–Bi bond lengths are 3.64 Å. Ba is bonded in a single-bond geometry to five Bi and one O atom. There are a spread of Ba–Bi bond distances ranging from 3.66–3.92 Å. The Ba–O bond length is 2.57 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to two equivalent K, six equivalent Ba, and one Bi atom. The Bi–Bi bond length is 3.11 Å. In the second Bi site, Bi is bonded in a 10-coordinate geometry to eight equivalent Ba atoms. O is bonded in a tetrahedral geometry to four equivalent Ba atoms.},
doi = {10.17188/1199599},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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