Materials Data on Mn2GaNi by Materials Project

Abstract

Mn2NiGa crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to four equivalent Mn, four equivalent Ni, and four equivalent Ga atoms to form distorted MnMn4Ga4Ni4 cuboctahedra that share corners with four equivalent MnMn4Ga4Ni4 cuboctahedra, corners with eight equivalent GaMn8Ni4 cuboctahedra, edges with eight equivalent NiMn8Ga4 cuboctahedra, edges with sixteen MnMn4Ga4Ni4 cuboctahedra, faces with four equivalent NiMn8Ga4 cuboctahedra, faces with six equivalent GaMn8Ni4 cuboctahedra, and faces with eight MnMn4Ga4Ni4 cuboctahedra. All Mn–Mn bond lengths are 2.57 Å. All Mn–Ni bond lengths are 2.57 Å. All Mn–Ga bond lengths are 2.69 Å. In the second Mn site, Mn is bonded to four equivalent Mn, four equivalent Ni, and four equivalent Ga atoms to form MnMn4Ga4Ni4 cuboctahedra that share corners with four equivalent MnMn4Ga4Ni4 cuboctahedra, corners with eight equivalent NiMn8Ga4 cuboctahedra, edges with eight equivalent GaMn8Ni4 cuboctahedra, edges with sixteen MnMn4Ga4Ni4 cuboctahedra, faces with four equivalent GaMn8Ni4 cuboctahedra, faces with six equivalent NiMn8Ga4 cuboctahedra, and faces with eight MnMn4Ga4Ni4 cuboctahedra. All Mn–Ni bond lengths are 2.69 Å. All Mn–Ga bond lengths are 2.57 Å. Ni is bonded to eight Mn and four equivalent Ga atoms to form NiMn8Ga4 cuboctahedra that share corners with four equivalent NiMn8Ga4 cuboctahedra, corners with eight equivalent MnMn4Ga4Ni4 cuboctahedra, edges with eight equivalent MnMn4Ga4Ni4 cuboctahedra, edges with eight equivalent NiMn8Ga4 cuboctahedra, edges with eight equivalent GaMn8Ni4 cuboctahedra, faces with four equivalent NiMn8Ga4 cuboctahedra, faces with four equivalent GaMn8Ni4 cuboctahedra, and faces with ten MnMn4Ga4Ni4 cuboctahedra. All Ni–Ga bond lengths are 2.57 Å. Ga is bonded to eight Mn and four equivalent Ni atoms to form GaMn8Ni4 cuboctahedra that share corners with four equivalent GaMn8Ni4 cuboctahedra, corners with eight equivalent MnMn4Ga4Ni4 cuboctahedra, edges with eight equivalent MnMn4Ga4Ni4 cuboctahedra, edges with eight equivalent NiMn8Ga4 cuboctahedra, edges with eight equivalent GaMn8Ni4 cuboctahedra, faces with four equivalent NiMn8Ga4 cuboctahedra, faces with four equivalent GaMn8Ni4 cuboctahedra, and faces with ten MnMn4Ga4Ni4 cuboctahedra.