Mn2NiGa is beta Cu3Ti-derived structured and crystallizes in the tetragonal I-4m2 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to four equivalent Mn(2), four equivalent Ni(1), and four equivalent Ga(1) atoms to form distorted MnMn4Ga4Ni4 cuboctahedra that share corners with four equivalent Mn(1)Mn4Ga4Ni4 cuboctahedra, corners with eight equivalent Ga(1)Mn8Ni4 cuboctahedra, edges with eight equivalent Mn(1)Mn4Ga4Ni4 cuboctahedra, edges with eight equivalent Mn(2)Mn4Ga4Ni4 cuboctahedra, edges with eight equivalent Ni(1)Mn8Ga4 cuboctahedra, faces with four equivalent Mn(1)Mn4Ga4Ni4 cuboctahedra, faces with four equivalent Mn(2)Mn4Ga4Ni4 cuboctahedra, faces with four equivalent Ni(1)Mn8Ga4 cuboctahedra, and faces with six equivalent Ga(1)Mn8Ni4 cuboctahedra. In the second Mn site, Mn(2) is bonded to four equivalent Mn(1), four equivalent Ni(1), and four equivalent Ga(1) atoms to form MnMn4Ga4Ni4 cuboctahedra that share corners with four equivalent Mn(2)Mn4Ga4Ni4 cuboctahedra, corners with eight equivalent Ni(1)Mn8Ga4 cuboctahedra, edges with eight equivalent Mn(1)Mn4Ga4Ni4 cuboctahedra, edges with eight equivalent Mn(2)Mn4Ga4Ni4 cuboctahedra, edges with eight equivalent Ga(1)Mn8Ni4 cuboctahedra, faces with four equivalent Mn(1)Mn4Ga4Ni4 cuboctahedra, faces with four equivalent Mn(2)Mn4Ga4Ni4 cuboctahedra, faces with four equivalent Ga(1)Mn8Ni4 cuboctahedra, and faces with six equivalent Ni(1)Mn8Ga4 cuboctahedra. Ni(1) is bonded to four equivalent Mn(1), four equivalent Mn(2), and four equivalent Ga(1) atoms to form NiMn8Ga4 cuboctahedra that share corners with four equivalent Ni(1)Mn8Ga4 cuboctahedra, corners with eight equivalent Mn(2)Mn4Ga4Ni4 cuboctahedra, edges with eight equivalent Mn(1)Mn4Ga4Ni4 cuboctahedra, edges with eight equivalent Ni(1)Mn8Ga4 cuboctahedra, edges with eight equivalent Ga(1)Mn8Ni4 cuboctahedra, faces with four equivalent Mn(1)Mn4Ga4Ni4 cuboctahedra, faces with four equivalent Ni(1)Mn8Ga4 cuboctahedra, faces with four equivalent Ga(1)Mn8Ni4 cuboctahedra, and faces with six equivalent Mn(2)Mn4Ga4Ni4 cuboctahedra. Ga(1) is bonded to four equivalent Mn(1), four equivalent Mn(2), and four equivalent Ni(1) atoms to form GaMn8Ni4 cuboctahedra that share corners with four equivalent Ga(1)Mn8Ni4 cuboctahedra, corners with eight equivalent Mn(1)Mn4Ga4Ni4 cuboctahedra, edges with eight equivalent Mn(2)Mn4Ga4Ni4 cuboctahedra, edges with eight equivalent Ni(1)Mn8Ga4 cuboctahedra, edges with eight equivalent Ga(1)Mn8Ni4 cuboctahedra, faces with four equivalent Mn(2)Mn4Ga4Ni4 cuboctahedra, faces with four equivalent Ni(1)Mn8Ga4 cuboctahedra, faces with four equivalent Ga(1)Mn8Ni4 cuboctahedra, and faces with six equivalent Mn(1)Mn4Ga4Ni4 cuboctahedra.
Mn2NiGa is beta Cu3Ti-derived structured and crystallizes in the tetragonal I-4m2 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to four equivalent Mn(2), four equivalent Ni(1), and four equivalent Ga(1) atoms to form distorted MnMn4Ga4Ni4 cuboctahedra that share corners with four equivalent Mn(1)Mn4Ga4Ni4 cuboctahedra, corners with eight equivalent Ga(1)Mn8Ni4 cuboctahedra, edges with eight equivalent Mn(1)Mn4Ga4Ni4 cuboctahedra, edges with eight equivalent Mn(2)Mn4Ga4Ni4 cuboctahedra, edges with eight equivalent Ni(1)Mn8Ga4 cuboctahedra, faces with four equivalent Mn(1)Mn4Ga4Ni4 cuboctahedra, faces with four equivalent Mn(2)Mn4Ga4Ni4 cuboctahedra, faces with four equivalent Ni(1)Mn8Ga4 cuboctahedra, and faces with six equivalent Ga(1)Mn8Ni4 cuboctahedra. All Mn(1)-Mn(2) bond lengths are 2.63 Å. All Mn(1)-Ni(1) bond lengths are 2.63 Å. All Mn(1)-Ga(1) bond lengths are 2.77 Å. In the second Mn site, Mn(2) is bonded to four equivalent Mn(1), four equivalent Ni(1), and four equivalent Ga(1) atoms to form MnMn4Ga4Ni4 cuboctahedra that share corners with four equivalent Mn(2)Mn4Ga4Ni4 cuboctahedra, corners with eight equivalent Ni(1)Mn8Ga4 cuboctahedra, edges with eight equivalent Mn(1)Mn4Ga4Ni4 cuboctahedra, edges with eight equivalent Mn(2)Mn4Ga4Ni4 cuboctahedra, edges with eight equivalent Ga(1)Mn8Ni4 cuboctahedra, faces with four equivalent Mn(1)Mn4Ga4Ni4 cuboctahedra, faces with four equivalent Mn(2)Mn4Ga4Ni4 cuboctahedra, faces with four equivalent Ga(1)Mn8Ni4 cuboctahedra, and faces with six equivalent Ni(1)Mn8Ga4 cuboctahedra. All Mn(2)-Ni(1) bond lengths are 2.77 Å. All Mn(2)-Ga(1) bond lengths are 2.63 Å. Ni(1) is bonded to four equivalent Mn(1), four equivalent Mn(2), and four equivalent Ga(1) atoms to form NiMn8Ga4 cuboctahedra that share corners with four equivalent Ni(1)Mn8Ga4 cuboctahedra, corners with eight equivalent Mn(2)Mn4Ga4Ni4 cuboctahedra, edges with eight equivalent Mn(1)Mn4Ga4Ni4 cuboctahedra, edges with eight equivalent Ni(1)Mn8Ga4 cuboctahedra, edges with eight equivalent Ga(1)Mn8Ni4 cuboctahedra, faces with four equivalent Mn(1)Mn4Ga4Ni4 cuboctahedra, faces with four equivalent Ni(1)Mn8Ga4 cuboctahedra, faces with four equivalent Ga(1)Mn8Ni4 cuboctahedra, and faces with six equivalent Mn(2)Mn4Ga4Ni4 cuboctahedra. All Ni(1)-Ga(1) bond lengths are 2.63 Å. Ga(1) is bonded to four equivalent Mn(1), four equivalent Mn(2), and four equivalent Ni(1) atoms to form GaMn8Ni4 cuboctahedra that share corners with four equivalent Ga(1)Mn8Ni4 cuboctahedra, corners with eight equivalent Mn(1)Mn4Ga4Ni4 cuboctahedra, edges with eight equivalent Mn(2)Mn4Ga4Ni4 cuboctahedra, edges with eight equivalent Ni(1)Mn8Ga4 cuboctahedra, edges with eight equivalent Ga(1)Mn8Ni4 cuboctahedra, faces with four equivalent Mn(2)Mn4Ga4Ni4 cuboctahedra, faces with four equivalent Ni(1)Mn8Ga4 cuboctahedra, faces with four equivalent Ga(1)Mn8Ni4 cuboctahedra, and faces with six equivalent Mn(1)Mn4Ga4Ni4 cuboctahedra.