Materials Data on Mn6ZnGaC2 by Materials Project
Mn6ZnGa(C)2 is High-temperature superconductor-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional and consists of two methane molecules and one Mn6ZnGa framework. In the Mn6ZnGa framework, there are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a linear geometry to one Zn and one Ga atom. The Mn–Zn bond length is 2.29 Å. The Mn–Ga bond length is 2.32 Å. In the second Mn site, Mn is bonded in a linear geometry to two equivalent Ga atoms. Both Mn–Ga bond lengths are 2.31 Å. In the third Mn site, Mn is bonded in a linear geometry to two equivalent Zn atoms. Both Mn–Zn bond lengths are 2.31 Å. Zn is bonded to six Mn atoms to form ZnMn6 octahedra that share corners with two equivalent GaMn6 octahedra and corners with four equivalent ZnMn6 octahedra. The corner-sharing octahedral tilt angles are 0°. Ga is bonded to six Mn atoms to form GaMn6 octahedra that share corners with two equivalent ZnMn6 octahedra and corners with four equivalent GaMn6 octahedra. The corner-sharing octahedral tilt angles are 0°.
- 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:
- 1656426
- Report Number(s):
- mp-1221882
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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