MgGa crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four Mg(2,2); two equivalent Ga(2); and six equivalent Ga(1) atoms to form distorted MgMg4Ga8 cuboctahedra that share edges with four equivalent Ga(2)Mg8Ga4 cuboctahedra, edges with six equivalent Mg(1)Mg4Ga8 cuboctahedra, faces with two equivalent Mg(1)Mg4Ga8 cuboctahedra, and faces with four equivalent Ga(2)Mg8Ga4 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(1), three equivalent Mg(2), three equivalent Ga(2), and four equivalent Ga(1) atoms. In the third Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(1); three Mg(2,2); three equivalent Ga(2); and four equivalent Ga(1) atoms. In the fourth Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(1), three equivalent Mg(2), three equivalent Ga(2), and four equivalent Ga(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 7-coordinate geometry to three equivalent Mg(1); four Mg(2,2); and two equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded to two equivalent Mg(1); six Mg(2,2,2); and four equivalent Ga(1) atoms to form distorted GaMg8Ga4 cuboctahedra that share edges with four equivalent Mg(1)Mg4Ga8 cuboctahedra, edges with six equivalent Ga(2)Mg8Ga4 cuboctahedra, faces with two equivalent Ga(2)Mg8Ga4 cuboctahedra, and faces with four equivalent Mg(1)Mg4Ga8 cuboctahedra.
MgGa crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four Mg(2,2); two equivalent Ga(2); and six equivalent Ga(1) atoms to form distorted MgMg4Ga8 cuboctahedra that share edges with four equivalent Ga(2)Mg8Ga4 cuboctahedra, edges with six equivalent Mg(1)Mg4Ga8 cuboctahedra, faces with two equivalent Mg(1)Mg4Ga8 cuboctahedra, and faces with four equivalent Ga(2)Mg8Ga4 cuboctahedra. All Mg(1)-Mg(2,2) bond lengths are 3.04 Å. Both Mg(1)-Ga(2) bond lengths are 2.93 Å. There are a spread of Mg(1)-Ga(1) bond distances ranging from 3.05-3.14 Å. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(1), three equivalent Mg(2), three equivalent Ga(2), and four equivalent Ga(1) atoms. Both Mg(2)-Mg(1) bond lengths are 3.04 Å. There are two shorter (3.04 Å) and one longer (3.19 Å) Mg(2)-Mg(2) bond length. There is one shorter (3.06 Å) and two longer (3.11 Å) Mg(2)-Ga(2) bond lengths. There are two shorter (2.93 Å) and two longer (3.00 Å) Mg(2)-Ga(1) bond lengths. In the third Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(1); three Mg(2,2); three equivalent Ga(2); and four equivalent Ga(1) atoms. The Mg(2)-Mg(2) bond length is 3.19 Å. There is one shorter (3.06 Å) and two longer (3.11 Å) Mg(2)-Ga(2) bond lengths. There are two shorter (2.93 Å) and two longer (3.00 Å) Mg(2)-Ga(1) bond lengths. In the fourth Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(1), three equivalent Mg(2), three equivalent Ga(2), and four equivalent Ga(1) atoms. There is one shorter (3.06 Å) and two longer (3.11 Å) Mg(2)-Ga(2) bond lengths. There are two shorter (2.93 Å) and two longer (3.00 Å) Mg(2)-Ga(1) bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 7-coordinate geometry to three equivalent Mg(1); four Mg(2,2); and two equivalent Ga(2) atoms. Both Ga(1)-Ga(2) bond lengths are 3.01 Å. In the second Ga site, Ga(2) is bonded to two equivalent Mg(1); six Mg(2,2,2); and four equivalent Ga(1) atoms to form distorted GaMg8Ga4 cuboctahedra that share edges with four equivalent Mg(1)Mg4Ga8 cuboctahedra, edges with six equivalent Ga(2)Mg8Ga4 cuboctahedra, faces with two equivalent Ga(2)Mg8Ga4 cuboctahedra, and faces with four equivalent Mg(1)Mg4Ga8 cuboctahedra.