U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KMnSn3O8 by Materials Project
Abstract
KMnSn3O8 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 3.04–3.20 Å. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four SnO6 octahedra, edges with two equivalent MnO6 octahedra, and edges with two equivalent SnO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are a spread of Mn–O bond distances ranging from 1.97–2.15 Å. There are three inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with four SnO6 octahedra, edges with two equivalent MnO6 octahedra, and edges with two equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are a spread of Sn–O bond distances ranging from 2.05–2.14 Å. In the second Sn4+ site, Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with two equivalent SnO6 octahedra, and edges with four SnO6 octahedra. The corner-sharing octahedra tilt angles range from 50–52°. There are a spread of Sn–O bond distancesmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1223668
- 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; KMnSn3O8; K-Mn-O-Sn
- OSTI Identifier:
- 1681702
- DOI:
- https://doi.org/10.17188/1681702
Citation Formats
The Materials Project. Materials Data on KMnSn3O8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1681702.
The Materials Project. Materials Data on KMnSn3O8 by Materials Project. United States. doi:https://doi.org/10.17188/1681702
The Materials Project. 2020.
"Materials Data on KMnSn3O8 by Materials Project". United States. doi:https://doi.org/10.17188/1681702. https://www.osti.gov/servlets/purl/1681702. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1681702,
title = {Materials Data on KMnSn3O8 by Materials Project},
author = {The Materials Project},
abstractNote = {KMnSn3O8 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 3.04–3.20 Å. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four SnO6 octahedra, edges with two equivalent MnO6 octahedra, and edges with two equivalent SnO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are a spread of Mn–O bond distances ranging from 1.97–2.15 Å. There are three inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with four SnO6 octahedra, edges with two equivalent MnO6 octahedra, and edges with two equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are a spread of Sn–O bond distances ranging from 2.05–2.14 Å. In the second Sn4+ site, Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with two equivalent SnO6 octahedra, and edges with four SnO6 octahedra. The corner-sharing octahedra tilt angles range from 50–52°. There are a spread of Sn–O bond distances ranging from 2.06–2.16 Å. In the third Sn4+ site, Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with two equivalent SnO6 octahedra, and edges with four SnO6 octahedra. The corner-sharing octahedra tilt angles range from 51–52°. There are a spread of Sn–O bond distances ranging from 2.01–2.17 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Mn3+ and two equivalent Sn4+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to three Sn4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sn4+ atoms. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Mn3+ and one Sn4+ atom. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent K1+, one Mn3+, and two equivalent Sn4+ atoms. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent K1+, two equivalent Mn3+, and one Sn4+ atom. In the seventh O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent K1+ and three Sn4+ atoms. In the eighth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent K1+ and three Sn4+ atoms.},
doi = {10.17188/1681702},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}