Materials Data on Lu2MnS4 by Materials Project
MnLu2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Lu3+ is bonded to six equivalent S2- atoms to form LuS6 octahedra that share corners with six equivalent MnS4 tetrahedra and edges with six equivalent LuS6 octahedra. All Lu–S bond lengths are 2.68 Å. Mn2+ is bonded to four equivalent S2- atoms to form MnS4 tetrahedra that share corners with twelve equivalent LuS6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Mn–S bond lengths are 2.44 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Lu3+ and one Mn2+ 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:
- 1190603
- Report Number(s):
- mp-14305
- Country of Publication:
- United States
- Language:
- English
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