Materials Data on MnGeTe2 by Materials Project
MnGeTe2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mn2+ is bonded to six Te2- atoms to form MnTe6 octahedra that share corners with six equivalent MnTe6 octahedra, edges with four equivalent MnTe6 octahedra, and edges with eight equivalent GeTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.95 Å) and two longer (2.97 Å) Mn–Te bond lengths. Ge2+ is bonded to six Te2- atoms to form GeTe6 octahedra that share corners with six equivalent GeTe6 octahedra, edges with four equivalent GeTe6 octahedra, and edges with eight equivalent MnTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.95 Å) and two longer (2.97 Å) Ge–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to four equivalent Mn2+ and two equivalent Ge2+ atoms to form a mixture of edge and corner-sharing TeMn4Ge2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second Te2- site, Te2- is bonded to two equivalent Mn2+ and four equivalent Ge2+ atoms to form TeMn2Ge4 octahedra that share corners with six equivalent TeMn2Ge4 octahedra and edges with twelve TeMn4Ge2 octahedra. The corner-sharing octahedral tilt angles are 0°.
- 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:
- 1744633
- Report Number(s):
- mp-1221610
- Country of Publication:
- United States
- Language:
- English
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