Materials Data on K4MnBr6 by Materials Project
K4MnBr6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent Br1- atoms. All K–Br bond lengths are 3.26 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight equivalent Br1- atoms. There are a spread of K–Br bond distances ranging from 3.40–3.58 Å. Mn2+ is bonded in an octahedral geometry to six equivalent Br1- atoms. All Mn–Br bond lengths are 2.73 Å. Br1- is bonded to five K1+ and one Mn2+ atom to form a mixture of distorted corner, edge, and face-sharing BrK5Mn octahedra. The corner-sharing octahedra tilt angles range from 0–64°.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1204124
- Report Number(s):
- mp-29637
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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