U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KBaMnO4 by Materials Project
Abstract
KBaMnO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.81–3.28 Å. Ba is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Ba–O bond distances ranging from 2.74–3.18 Å. Mn is bonded in a tetrahedral geometry to four O atoms. There is three shorter (1.72 Å) and one longer (1.73 Å) Mn–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three equivalent K, two equivalent Ba, and one Mn atom. In the second O site, O is bonded in a distorted single-bond geometry to three equivalent K, two equivalent Ba, and one Mn atom. In the third O site, O is bonded in a distorted single-bond geometry to one K, three equivalent Ba, and one Mn atom.
- Publication Date:
- Other Number(s):
- mp-1192441
- 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-K-Mn-O; KBaMnO4; crystal structure
- OSTI Identifier:
- 1684193
- DOI:
- https://doi.org/10.17188/1684193
Citation Formats
Materials Data on KBaMnO4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1684193.
Materials Data on KBaMnO4 by Materials Project. United States. doi:https://doi.org/10.17188/1684193
2019.
"Materials Data on KBaMnO4 by Materials Project". United States. doi:https://doi.org/10.17188/1684193. https://www.osti.gov/servlets/purl/1684193. Pub date:Thu Jan 10 23:00:00 EST 2019
@article{osti_1684193,
title = {Materials Data on KBaMnO4 by Materials Project},
abstractNote = {KBaMnO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.81–3.28 Å. Ba is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Ba–O bond distances ranging from 2.74–3.18 Å. Mn is bonded in a tetrahedral geometry to four O atoms. There is three shorter (1.72 Å) and one longer (1.73 Å) Mn–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three equivalent K, two equivalent Ba, and one Mn atom. In the second O site, O is bonded in a distorted single-bond geometry to three equivalent K, two equivalent Ba, and one Mn atom. In the third O site, O is bonded in a distorted single-bond geometry to one K, three equivalent Ba, and one Mn atom.},
doi = {10.17188/1684193},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}