U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K11Mn4O16 by Materials Project
Abstract
K11Mn4O16 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are eight inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are two shorter (2.81 Å) and three longer (2.83 Å) K–O bond lengths. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.94–3.02 Å. In the third K1+ site, K1+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.70–3.17 Å. In the fourth K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.64–2.79 Å. In the fifth K1+ site, K1+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.97–2.99 Å. In the sixth K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.64–2.81 Å. In the seventh K1+ site, K1+ is bonded in a 5-coordinatemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-775539
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; K11Mn4O16; K-Mn-O
- OSTI Identifier:
- 1303236
- DOI:
- https://doi.org/10.17188/1303236
Citation Formats
The Materials Project. Materials Data on K11Mn4O16 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1303236.
The Materials Project. Materials Data on K11Mn4O16 by Materials Project. United States. doi:https://doi.org/10.17188/1303236
The Materials Project. 2020.
"Materials Data on K11Mn4O16 by Materials Project". United States. doi:https://doi.org/10.17188/1303236. https://www.osti.gov/servlets/purl/1303236. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1303236,
title = {Materials Data on K11Mn4O16 by Materials Project},
author = {The Materials Project},
abstractNote = {K11Mn4O16 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are eight inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are two shorter (2.81 Å) and three longer (2.83 Å) K–O bond lengths. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.94–3.02 Å. In the third K1+ site, K1+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.70–3.17 Å. In the fourth K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.64–2.79 Å. In the fifth K1+ site, K1+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.97–2.99 Å. In the sixth K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.64–2.81 Å. In the seventh K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.80–2.84 Å. In the eighth K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.80–2.83 Å. There are three inequivalent Mn+5.25+ sites. In the first Mn+5.25+ site, Mn+5.25+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mn–O bond distances ranging from 1.69–1.71 Å. In the second Mn+5.25+ site, Mn+5.25+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mn–O bond distances ranging from 1.70–1.72 Å. In the third Mn+5.25+ site, Mn+5.25+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.70 Å) and three longer (1.72 Å) Mn–O bond length. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five K1+ and one Mn+5.25+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one Mn+5.25+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to five K1+ and one Mn+5.25+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to five K1+ and one Mn+5.25+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to five K1+ and one Mn+5.25+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one Mn+5.25+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one Mn+5.25+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to five K1+ and one Mn+5.25+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to five K1+ and one Mn+5.25+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to five K1+ and one Mn+5.25+ atom.},
doi = {10.17188/1303236},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}