Materials Data on Mn5CuO12 by Materials Project
Mn2CuO6(MnO2)3 is trigonal omega-derived structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Mn2CuO6 sheet oriented in the (0, 0, 1) direction and one MnO2 sheet oriented in the (0, 0, 1) direction. In the Mn2CuO6 sheet, Mn+4.40+ is bonded to six O2- atoms to form MnO6 octahedra that share edges with three equivalent MnO6 octahedra and edges with three equivalent CuO6 octahedra. There is four shorter (1.94 Å) and two longer (1.95 Å) Mn–O bond length. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share edges with six equivalent MnO6 octahedra. There is two shorter (1.94 Å) and four longer (1.97 Å) Cu–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mn+4.40+ and one Cu2+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn+4.40+ and one Cu2+ atom. In the MnO2 sheet, Mn+4.40+ is bonded to six equivalent O2- atoms to form edge-sharing MnO6 octahedra. There is two shorter (1.94 Å) and four longer (1.95 Å) Mn–O bond length. O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mn+4.40+ atoms.
- 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:
- 1301705
- Report Number(s):
- mp-773237
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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