Materials Data on TiMn2O6 by Materials Project
TiMn2O6 is trigonal omega-derived structured and crystallizes in the orthorhombic Cmce space group. The structure is two-dimensional and consists of two TiMn2O6 sheets oriented in the (0, 0, 1) direction. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share edges with six equivalent MnO6 octahedra. There is four shorter (1.98 Å) and two longer (1.99 Å) Ti–O bond length. Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share edges with three equivalent TiO6 octahedra and edges with three equivalent MnO6 octahedra. All Mn–O bond lengths are 1.95 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Ti4+ and two equivalent Mn4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ti4+ and two equivalent Mn4+ atoms.
- 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:
- 1675544
- Report Number(s):
- mp-1101349
- Country of Publication:
- United States
- Language:
- English
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