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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Mn3GaC by Materials Project

Mn3GaC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one methane molecule and one Mn3Ga framework. In the Mn3Ga framework, Mn is bonded in a linear geometry to two equivalent Ga atoms. Both Mn–Ga bond lengths are 2.31 Å. Ga is bonded to six equivalent Mn atoms to form corner-sharing GaMn6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3GaC by Materials Project

Mn3GaC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded in a linear geometry to four equivalent Ga and two equivalent C atoms. All Mn–Ga bond lengths are 2.70 Å. Both Mn–C bond lengths are 1.91 Å. Ga is bonded to twelve equivalent Mn atoms to form GaMn12 cuboctahedra that share corners with twelve equivalent GaMn12 cuboctahedra, faces with six equivalent GaMn12 cuboctahedra, and faces with eight equivalent CMn6 octahedra. C is bonded to six equivalent Mn atoms to form CMn6 octahedra that share corners with six equivalent CMn6 octahedra and faces with eight equivalent GaMn12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗