Materials Data on MnSn4H24C8(Se5N)2 by Materials Project
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.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1722151
- Report Number(s):
- mp-1199595
- Country of Publication:
- United States
- Language:
- English
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