MnGa crystallizes in the trigonal R-3m space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 7-coordinate geometry to three equivalent Mn(2), one Ga(3), two equivalent Ga(1), and four equivalent Ga(2) atoms. In the second Mn site, Mn(2) is bonded in a 12-coordinate geometry to one Mn(3), two equivalent Mn(2), three equivalent Mn(1), one Ga(3), two equivalent Ga(2), and three equivalent Ga(1) atoms. In the third Mn site, Mn(3) is bonded to six equivalent Mn(2) and six equivalent Ga(1) atoms to form MnMn6Ga6 cuboctahedra that share faces with two equivalent Ga(3)Mn12 cuboctahedra. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 11-coordinate geometry to one Mn(3), two equivalent Mn(1), three equivalent Mn(2), two equivalent Ga(2), and three equivalent Ga(1) atoms. In the second Ga site, Ga(2) is bonded in a 6-coordinate geometry to two equivalent Mn(2), four equivalent Mn(1), and two equivalent Ga(1) atoms. In the third Ga site, Ga(3) is bonded to six equivalent Mn(1) and six equivalent Mn(2) atoms to form GaMn12 cuboctahedra that share faces with two equivalent Mn(3)Mn6Ga6 cuboctahedra.
MnGa crystallizes in the trigonal R-3m space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 7-coordinate geometry to three equivalent Mn(2), one Ga(3), two equivalent Ga(1), and four equivalent Ga(2) atoms. There are two shorter (2.70 Å) and one longer (2.72 Å) Mn(1)-Mn(2) bond length. The Mn(1)-Ga(3) bond length is 2.66 Å. There is one shorter (2.54 Å) and one longer (2.76 Å) Mn(1)-Ga(1) bond length. All Mn(1)-Ga(2) bond lengths are 2.59 Å. In the second Mn site, Mn(2) is bonded in a 12-coordinate geometry to one Mn(3), two equivalent Mn(2), three equivalent Mn(1), one Ga(3), two equivalent Ga(2), and three equivalent Ga(1) atoms. The Mn(2)-Mn(3) bond length is 2.52 Å. Both Mn(2)-Mn(2) bond lengths are 2.80 Å. The Mn(2)-Ga(3) bond length is 2.56 Å. Both Mn(2)-Ga(2) bond lengths are 2.62 Å. There are two shorter (2.60 Å) and one longer (2.72 Å) Mn(2)-Ga(1) bond length. In the third Mn site, Mn(3) is bonded to six equivalent Mn(2) and six equivalent Ga(1) atoms to form MnMn6Ga6 cuboctahedra that share faces with two equivalent Ga(3)Mn12 cuboctahedra. All Mn(3)-Ga(1) bond lengths are 2.64 Å. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 11-coordinate geometry to one Mn(3), two equivalent Mn(1), three equivalent Mn(2), two equivalent Ga(2), and three equivalent Ga(1) atoms. Both Ga(1)-Ga(2) bond lengths are 2.98 Å. There is one shorter (2.58 Å) and two longer (2.85 Å) Ga(1)-Ga(1) bond lengths. In the second Ga site, Ga(2) is bonded in a 6-coordinate geometry to two equivalent Mn(2), four equivalent Mn(1), and two equivalent Ga(1) atoms. In the third Ga site, Ga(3) is bonded to six equivalent Mn(1) and six equivalent Mn(2) atoms to form GaMn12 cuboctahedra that share faces with two equivalent Mn(3)Mn6Ga6 cuboctahedra.