MgIn3 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to four equivalent In(2) and six equivalent In(1) atoms to form distorted MgIn10 cuboctahedra that share corners with four equivalent In(1)Mg3In9 cuboctahedra, corners with eight equivalent In(2)Mg4In8 cuboctahedra, corners with twelve equivalent Mg(1)In10 cuboctahedra, edges with two equivalent Mg(1)In10 cuboctahedra, edges with eight equivalent In(1)Mg3In9 cuboctahedra, faces with two equivalent Mg(1)In10 cuboctahedra, faces with six equivalent In(2)Mg4In8 cuboctahedra, and faces with twelve equivalent In(1)Mg3In9 cuboctahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to three equivalent Mg(1), three equivalent In(2), and six equivalent In(1) atoms to form distorted InMg3In9 cuboctahedra that share corners with two equivalent Mg(1)In10 cuboctahedra, corners with eighteen equivalent In(1)Mg3In9 cuboctahedra, edges with four equivalent Mg(1)In10 cuboctahedra, edges with six equivalent In(1)Mg3In9 cuboctahedra, edges with six equivalent In(2)Mg4In8 cuboctahedra, faces with six equivalent Mg(1)In10 cuboctahedra, faces with six equivalent In(2)Mg4In8 cuboctahedra, and faces with eight equivalent In(1)Mg3In9 cuboctahedra. In the second In site, In(2) is bonded to four equivalent Mg(1), two equivalent In(2), and six equivalent In(1) atoms to form distorted InMg4In8 cuboctahedra that share corners with eight equivalent Mg(1)In10 cuboctahedra, corners with fourteen equivalent In(2)Mg4In8 cuboctahedra, edges with two equivalent In(2)Mg4In8 cuboctahedra, edges with twelve equivalent In(1)Mg3In9 cuboctahedra, faces with two equivalent In(2)Mg4In8 cuboctahedra, faces with six equivalent Mg(1)In10 cuboctahedra, and faces with twelve equivalent In(1)Mg3In9 cuboctahedra.
MgIn3 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to four equivalent In(2) and six equivalent In(1) atoms to form distorted MgIn10 cuboctahedra that share corners with four equivalent In(1)Mg3In9 cuboctahedra, corners with eight equivalent In(2)Mg4In8 cuboctahedra, corners with twelve equivalent Mg(1)In10 cuboctahedra, edges with two equivalent Mg(1)In10 cuboctahedra, edges with eight equivalent In(1)Mg3In9 cuboctahedra, faces with two equivalent Mg(1)In10 cuboctahedra, faces with six equivalent In(2)Mg4In8 cuboctahedra, and faces with twelve equivalent In(1)Mg3In9 cuboctahedra. There are two shorter (3.28 Å) and two longer (3.33 Å) Mg(1)-In(2) bond lengths. There are four shorter (3.29 Å) and two longer (3.32 Å) Mg(1)-In(1) bond lengths. There are two inequivalent In sites. In the first In site, In(1) is bonded to three equivalent Mg(1), three equivalent In(2), and six equivalent In(1) atoms to form distorted InMg3In9 cuboctahedra that share corners with two equivalent Mg(1)In10 cuboctahedra, corners with eighteen equivalent In(1)Mg3In9 cuboctahedra, edges with four equivalent Mg(1)In10 cuboctahedra, edges with six equivalent In(1)Mg3In9 cuboctahedra, edges with six equivalent In(2)Mg4In8 cuboctahedra, faces with six equivalent Mg(1)In10 cuboctahedra, faces with six equivalent In(2)Mg4In8 cuboctahedra, and faces with eight equivalent In(1)Mg3In9 cuboctahedra. There is one shorter (3.28 Å) and two longer (3.35 Å) In(1)-In(2) bond lengths. There are four shorter (3.31 Å) and two longer (3.38 Å) In(1)-In(1) bond lengths. In the second In site, In(2) is bonded to four equivalent Mg(1), two equivalent In(2), and six equivalent In(1) atoms to form distorted InMg4In8 cuboctahedra that share corners with eight equivalent Mg(1)In10 cuboctahedra, corners with fourteen equivalent In(2)Mg4In8 cuboctahedra, edges with two equivalent In(2)Mg4In8 cuboctahedra, edges with twelve equivalent In(1)Mg3In9 cuboctahedra, faces with two equivalent In(2)Mg4In8 cuboctahedra, faces with six equivalent Mg(1)In10 cuboctahedra, and faces with twelve equivalent In(1)Mg3In9 cuboctahedra. Both In(2)-In(2) bond lengths are 3.38 Å.