Materials Data on MnFeSi4 by Materials Project
MnFeSi4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mn is bonded in a body-centered cubic geometry to eight equivalent Si atoms. All Mn–Si bond lengths are 2.38 Å. Fe is bonded in a body-centered cubic geometry to eight equivalent Si atoms. All Fe–Si bond lengths are 2.38 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 5-coordinate geometry to four equivalent Mn and one Si atom. The Si–Si bond length is 2.35 Å. In the second Si site, Si is bonded in a 5-coordinate geometry to four equivalent Fe and one Si 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:
- 1746649
- Report Number(s):
- mp-1221606
- Country of Publication:
- United States
- Language:
- English
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