Materials Data on Mn2SeS by Materials Project
Mn2SeS is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mn2+ is bonded to three equivalent Se2- and three equivalent S2- atoms to form a mixture of distorted edge and corner-sharing MnSe3S3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mn–Se bond lengths are 2.71 Å. All Mn–S bond lengths are 2.19 Å. Se2- is bonded to six equivalent Mn2+ atoms to form distorted SeMn6 octahedra that share corners with six equivalent SMn6 octahedra, edges with six equivalent SeMn6 octahedra, and edges with six equivalent SMn6 octahedra. The corner-sharing octahedral tilt angles are 18°. S2- is bonded to six equivalent Mn2+ atoms to form distorted SMn6 octahedra that share corners with six equivalent SeMn6 octahedra, edges with six equivalent SeMn6 octahedra, and edges with six equivalent SMn6 octahedra. The corner-sharing octahedral tilt angles are 18°.
- 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:
- 1750330
- Report Number(s):
- mp-1221540
- Country of Publication:
- United States
- Language:
- English
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