Mg14MnB crystallizes in the hexagonal P-6m2 space group. There are six inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(4); four Mg(1,1); four equivalent Mg(3); and two equivalent Mn(1) atoms to form MgMg10Mn2 cuboctahedra that share corners with six equivalent Mg(1)Mg10Mn2 cuboctahedra; edges with two equivalent Mn(1)Mg12 cuboctahedra; edges with four Mg(1,1)Mg10Mn2 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with eight equivalent Mg(3)Mg10MnB cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Mn(1)Mg12 cuboctahedra; faces with four Mg(1,1)Mg10Mn2 cuboctahedra; and faces with ten Mg(3,3)Mg10MnB cuboctahedra. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(4) and four equivalent Mg(3) atoms. In the third Mg site, Mg(1) is bonded to two equivalent Mg(4); four equivalent Mg(1); four Mg(3,3); and two equivalent Mn(1) atoms to form MgMg10Mn2 cuboctahedra that share corners with six equivalent Mg(1)Mg10Mn2 cuboctahedra; edges with two equivalent Mn(1)Mg12 cuboctahedra; edges with four equivalent Mg(1)Mg10Mn2 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with eight Mg(3,3)Mg10MnB cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Mn(1)Mg12 cuboctahedra; faces with four equivalent Mg(1)Mg10Mn2 cuboctahedra; and faces with ten Mg(3,3)Mg10MnB cuboctahedra. In the fourth Mg site, Mg(3) is bonded to two Mg(1,1); two equivalent Mg(2); two equivalent Mg(4); four Mg(3,3); one Mn(1); and one B(1) atom to form distorted MgMg10MnB cuboctahedra that share corners with four equivalent Mg(4)Mg12 cuboctahedra; corners with fourteen Mg(3,3)Mg10MnB cuboctahedra; edges with two equivalent Mg(4)Mg12 cuboctahedra; edges with two equivalent Mn(1)Mg12 cuboctahedra; edges with four Mg(1,1)Mg10Mn2 cuboctahedra; edges with four Mg(3,3)Mg10MnB cuboctahedra;  a faceface with one Mn(1)Mg12 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with five Mg(1,1)Mg10Mn2 cuboctahedra; and faces with six Mg(3,3)Mg10MnB cuboctahedra. In the fifth Mg site, Mg(3) is bonded to two Mg(1,1); two equivalent Mg(2); two equivalent Mg(4); four equivalent Mg(3); one Mn(1); and one B(1) atom to form distorted MgMg10MnB cuboctahedra that share corners with four equivalent Mg(4)Mg12 cuboctahedra; corners with fourteen Mg(3,3)Mg10MnB cuboctahedra; edges with two equivalent Mg(4)Mg12 cuboctahedra; edges with two equivalent Mn(1)Mg12 cuboctahedra; edges with four Mg(1,1)Mg10Mn2 cuboctahedra; edges with four equivalent Mg(3)Mg10MnB cuboctahedra;  a faceface with one Mn(1)Mg12 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with five Mg(1,1)Mg10Mn2 cuboctahedra; and faces with six Mg(3,3)Mg10MnB cuboctahedra. In the sixth Mg site, Mg(4) is bonded to three Mg(1,1); three equivalent Mg(2); and six Mg(3,3) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(4)Mg12 cuboctahedra; corners with twelve Mg(3,3)Mg10MnB cuboctahedra; edges with six Mg(1,1)Mg10Mn2 cuboctahedra; edges with six Mg(3,3)Mg10MnB cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with three Mg(1,1)Mg10Mn2 cuboctahedra; faces with three equivalent Mn(1)Mg12 cuboctahedra; and faces with six Mg(3,3)Mg10MnB cuboctahedra. Mn(1) is bonded to six Mg(1,1) and six Mg(3,3) atoms to form MnMg12 cuboctahedra that share corners with six equivalent Mn(1)Mg12 cuboctahedra; edges with six Mg(1,1)Mg10Mn2 cuboctahedra; edges with twelve Mg(3,3)Mg10MnB cuboctahedra; faces with six Mg(1,1)Mg10Mn2 cuboctahedra; faces with six Mg(3,3)Mg10MnB cuboctahedra; and faces with six equivalent Mg(4)Mg12 cuboctahedra. B(1) is bonded in a 6-coordinate geometry to six Mg(3,3) atoms.
Mg14MnB crystallizes in the hexagonal P-6m2 space group. There are six inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(4); four Mg(1,1); four equivalent Mg(3); and two equivalent Mn(1) atoms to form MgMg10Mn2 cuboctahedra that share corners with six equivalent Mg(1)Mg10Mn2 cuboctahedra; edges with two equivalent Mn(1)Mg12 cuboctahedra; edges with four Mg(1,1)Mg10Mn2 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with eight equivalent Mg(3)Mg10MnB cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Mn(1)Mg12 cuboctahedra; faces with four Mg(1,1)Mg10Mn2 cuboctahedra; and faces with ten Mg(3,3)Mg10MnB cuboctahedra. Both Mg(1)-Mg(4) bond lengths are 3.08 Å. There are two shorter (3.08 Å) and two longer (3.11 Å) Mg(1)-Mg(1,1) bond lengths. All Mg(1)-Mg(3) bond lengths are 3.13 Å. Both Mg(1)-Mn(1) bond lengths are 3.10 Å. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(4) and four equivalent Mg(3) atoms. Both Mg(2)-Mg(4) bond lengths are 3.10 Å. All Mg(2)-Mg(3) bond lengths are 3.08 Å. In the third Mg site, Mg(1) is bonded to two equivalent Mg(4); four equivalent Mg(1); four Mg(3,3); and two equivalent Mn(1) atoms to form MgMg10Mn2 cuboctahedra that share corners with six equivalent Mg(1)Mg10Mn2 cuboctahedra; edges with two equivalent Mn(1)Mg12 cuboctahedra; edges with four equivalent Mg(1)Mg10Mn2 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with eight Mg(3,3)Mg10MnB cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Mn(1)Mg12 cuboctahedra; faces with four equivalent Mg(1)Mg10Mn2 cuboctahedra; and faces with ten Mg(3,3)Mg10MnB cuboctahedra. Both Mg(1)-Mg(4) bond lengths are 3.08 Å. All Mg(1)-Mg(3,3) bond lengths are 3.13 Å. Both Mg(1)-Mn(1) bond lengths are 3.10 Å. In the fourth Mg site, Mg(3) is bonded to two Mg(1,1); two equivalent Mg(2); two equivalent Mg(4); four Mg(3,3); one Mn(1); and one B(1) atom to form distorted MgMg10MnB cuboctahedra that share corners with four equivalent Mg(4)Mg12 cuboctahedra; corners with fourteen Mg(3,3)Mg10MnB cuboctahedra; edges with two equivalent Mg(4)Mg12 cuboctahedra; edges with two equivalent Mn(1)Mg12 cuboctahedra; edges with four Mg(1,1)Mg10Mn2 cuboctahedra; edges with four Mg(3,3)Mg10MnB cuboctahedra;  a faceface with one Mn(1)Mg12 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with five Mg(1,1)Mg10Mn2 cuboctahedra; and faces with six Mg(3,3)Mg10MnB cuboctahedra. Both Mg(3)-Mg(4) bond lengths are 3.10 Å. There are two shorter (2.98 Å) and two longer (3.21 Å) Mg(3)-Mg(3,3) bond lengths. The Mg(3)-Mn(1) bond length is 3.08 Å. The Mg(3)-B(1) bond length is 3.02 Å. In the fifth Mg site, Mg(3) is bonded to two Mg(1,1); two equivalent Mg(2); two equivalent Mg(4); four equivalent Mg(3); one Mn(1); and one B(1) atom to form distorted MgMg10MnB cuboctahedra that share corners with four equivalent Mg(4)Mg12 cuboctahedra; corners with fourteen Mg(3,3)Mg10MnB cuboctahedra; edges with two equivalent Mg(4)Mg12 cuboctahedra; edges with two equivalent Mn(1)Mg12 cuboctahedra; edges with four Mg(1,1)Mg10Mn2 cuboctahedra; edges with four equivalent Mg(3)Mg10MnB cuboctahedra;  a faceface with one Mn(1)Mg12 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with five Mg(1,1)Mg10Mn2 cuboctahedra; and faces with six Mg(3,3)Mg10MnB cuboctahedra. The Mg(3)-Mg(1) bond length is 3.13 Å. Both Mg(3)-Mg(2) bond lengths are 3.08 Å. Both Mg(3)-Mg(4) bond lengths are 3.10 Å. The Mg(3)-Mn(1) bond length is 3.08 Å. The Mg(3)-B(1) bond length is 3.02 Å. In the sixth Mg site, Mg(4) is bonded to three Mg(1,1); three equivalent Mg(2); and six Mg(3,3) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(4)Mg12 cuboctahedra; corners with twelve Mg(3,3)Mg10MnB cuboctahedra; edges with six Mg(1,1)Mg10Mn2 cuboctahedra; edges with six Mg(3,3)Mg10MnB cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with three Mg(1,1)Mg10Mn2 cuboctahedra; faces with three equivalent Mn(1)Mg12 cuboctahedra; and faces with six Mg(3,3)Mg10MnB cuboctahedra. Mn(1) is bonded to six Mg(1,1) and six Mg(3,3) atoms to form MnMg12 cuboctahedra that share corners with six equivalent Mn(1)Mg12 cuboctahedra; edges with six Mg(1,1)Mg10Mn2 cuboctahedra; edges with twelve Mg(3,3)Mg10MnB cuboctahedra; faces with six Mg(1,1)Mg10Mn2 cuboctahedra; faces with six Mg(3,3)Mg10MnB cuboctahedra; and faces with six equivalent Mg(4)Mg12 cuboctahedra. B(1) is bonded in a 6-coordinate geometry to six Mg(3,3) atoms.