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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Mn3GeC by Materials Project

Mn3GeC 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 Ge and two equivalent C atoms. All Mn–Ge bond lengths are 2.68 Å. Both Mn–C bond lengths are 1.90 Å. Ge is bonded to twelve equivalent Mn atoms to form GeMn12 cuboctahedra that share corners with twelve equivalent GeMn12 cuboctahedra, faces with six equivalent GeMn12 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 GeMn12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3GeC by Materials Project

Mn3GeC crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted bent 150 degrees geometry to two equivalent Ge and two equivalent C atoms. Both Mn–Ge bond lengths are 2.45 Å. Both Mn–C bond lengths are 1.92 Å. In the second Mn site, Mn is bonded in a distorted linear geometry to four equivalent Ge and two equivalent C atoms. All Mn–Ge bond lengths are 2.64 Å. Both Mn–C bond lengths are 2.02 Å. Ge is bonded in a 12-coordinate geometry to eight Mn atoms. C is bonded to six Mn atoms to form corner-sharing CMn6 octahedra. The corner-sharing octahedra tilt angles range from 0–28°.

36 MATERIALS SCIENCE↗