U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MnSn4H24C8(Se5N)2 by Materials Project
Abstract
Mn(Sn2Se5)2(N(CH3)4)2 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional and consists of four tetramethylammonium molecules and one Mn(Sn2Se5)2 framework. In the Mn(Sn2Se5)2 framework, Mn2+ is bonded to four equivalent Se2- atoms to form MnSe4 tetrahedra that share corners with four equivalent SnSe4 tetrahedra. All Mn–Se bond lengths are 2.56 Å. Sn4+ is bonded to four Se2- atoms to form SnSe4 tetrahedra that share a cornercorner with one MnSe4 tetrahedra and corners with three equivalent SnSe4 tetrahedra. There are a spread of Sn–Se bond distances ranging from 2.52–2.60 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a water-like geometry to two equivalent Sn4+ atoms. In the second Se2- site, Se2- is bonded in a water-like geometry to two equivalent Sn4+ atoms. In the third Se2- site, Se2- is bonded in a bent 120 degrees geometry to one Mn2+ and one Sn4+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1199595
- 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; MnSn4H24C8(Se5N)2; C-H-Mn-N-Se-Sn
- OSTI Identifier:
- 1722151
- DOI:
- https://doi.org/10.17188/1722151
Citation Formats
The Materials Project. Materials Data on MnSn4H24C8(Se5N)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1722151.
The Materials Project. Materials Data on MnSn4H24C8(Se5N)2 by Materials Project. United States. doi:https://doi.org/10.17188/1722151
The Materials Project. 2020.
"Materials Data on MnSn4H24C8(Se5N)2 by Materials Project". United States. doi:https://doi.org/10.17188/1722151. https://www.osti.gov/servlets/purl/1722151. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1722151,
title = {Materials Data on MnSn4H24C8(Se5N)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn(Sn2Se5)2(N(CH3)4)2 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional and consists of four tetramethylammonium molecules and one Mn(Sn2Se5)2 framework. In the Mn(Sn2Se5)2 framework, Mn2+ is bonded to four equivalent Se2- atoms to form MnSe4 tetrahedra that share corners with four equivalent SnSe4 tetrahedra. All Mn–Se bond lengths are 2.56 Å. Sn4+ is bonded to four Se2- atoms to form SnSe4 tetrahedra that share a cornercorner with one MnSe4 tetrahedra and corners with three equivalent SnSe4 tetrahedra. There are a spread of Sn–Se bond distances ranging from 2.52–2.60 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a water-like geometry to two equivalent Sn4+ atoms. In the second Se2- site, Se2- is bonded in a water-like geometry to two equivalent Sn4+ atoms. In the third Se2- site, Se2- is bonded in a bent 120 degrees geometry to one Mn2+ and one Sn4+ atom.},
doi = {10.17188/1722151},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}