Mg14MoMn crystallizes in the hexagonal P-6m2 space group. There are eight inequivalent Mg sites. In the first 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 four equivalent Mo(1)Mg12 cuboctahedra; corners with six equivalent Mg(1)Mg10Mn2 cuboctahedra; corners with eight Mg(2,2)Mg10Mo2 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; faces with two equivalent Mg(2)Mg10Mo2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Mn(1)Mg12 cuboctahedra; and faces with four equivalent Mg(1)Mg10Mn2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4); four Mg(2,2); four Mg(3,3); and two equivalent Mo(1) atoms to form distorted MgMg10Mo2 cuboctahedra that share corners with four equivalent Mn(1)Mg12 cuboctahedra; corners with six equivalent Mg(2)Mg10Mo2 cuboctahedra; corners with eight equivalent Mg(1)Mg10Mn2 cuboctahedra; edges with two equivalent Mo(1)Mg12 cuboctahedra; edges with four Mg(2,2)Mg10Mo2 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Mg(1)Mg10Mn2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Mo(1)Mg12 cuboctahedra; and faces with four Mg(2,2)Mg10Mo2 cuboctahedra. In the third 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 four equivalent Mo(1)Mg12 cuboctahedra; corners with six equivalent Mg(1)Mg10Mn2 cuboctahedra; corners with eight Mg(2,2)Mg10Mo2 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; faces with two equivalent Mg(2)Mg10Mo2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Mn(1)Mg12 cuboctahedra; and faces with four Mg(1,1)Mg10Mn2 cuboctahedra. In the fourth Mg site, Mg(2) is bonded to two equivalent Mg(4); four Mg(2,2); four equivalent Mg(3); and two equivalent Mo(1) atoms to form distorted MgMg10Mo2 cuboctahedra that share corners with four equivalent Mn(1)Mg12 cuboctahedra; corners with six equivalent Mg(2)Mg10Mo2 cuboctahedra; corners with eight Mg(1,1)Mg10Mn2 cuboctahedra; edges with two equivalent Mo(1)Mg12 cuboctahedra; edges with four Mg(2,2)Mg10Mo2 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Mg(1)Mg10Mn2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Mo(1)Mg12 cuboctahedra; and faces with four Mg(2,2)Mg10Mo2 cuboctahedra. In the fifth Mg site, Mg(2) is bonded to two equivalent Mg(4); four Mg(2,2); four Mg(3,3); and two equivalent Mo(1) atoms to form distorted MgMg10Mo2 cuboctahedra that share corners with four equivalent Mn(1)Mg12 cuboctahedra; corners with six equivalent Mg(2)Mg10Mo2 cuboctahedra; corners with eight Mg(1,1)Mg10Mn2 cuboctahedra; edges with two equivalent Mo(1)Mg12 cuboctahedra; edges with four Mg(2,2)Mg10Mo2 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Mg(1)Mg10Mn2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Mo(1)Mg12 cuboctahedra; and faces with four Mg(2,2)Mg10Mo2 cuboctahedra. In the sixth Mg site, Mg(3) is bonded in a 12-coordinate geometry to two Mg(1,1); two Mg(2,2); two equivalent Mg(4); four Mg(3,3); one Mo(1); and one Mn(1) atom. In the seventh Mg site, Mg(3) is bonded in a 12-coordinate geometry to two Mg(1,1); two Mg(2,2); two equivalent Mg(4); four equivalent Mg(3); one Mo(1); and one Mn(1) atom. In the eighth Mg site, Mg(4) is bonded to three Mg(1,1); three Mg(2,2,2); and six Mg(3,3) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(4)Mg12 cuboctahedra; edges with six Mg(1,1)Mg10Mn2 cuboctahedra; edges with six Mg(2,2,2)Mg10Mo2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with three Mg(1,1)Mg10Mn2 cuboctahedra; faces with three Mg(2,2,2)Mg10Mo2 cuboctahedra; faces with three equivalent Mo(1)Mg12 cuboctahedra; and faces with three equivalent Mn(1)Mg12 cuboctahedra. Mo(1) is bonded to six Mg(2,2,2) and six Mg(3,3) atoms to form MoMg12 cuboctahedra that share corners with six equivalent Mo(1)Mg12 cuboctahedra; corners with twelve Mg(1,1)Mg10Mn2 cuboctahedra; edges with six Mg(2,2,2)Mg10Mo2 cuboctahedra; faces with two equivalent Mn(1)Mg12 cuboctahedra; faces with six Mg(2,2,2)Mg10Mo2 cuboctahedra; and faces with six equivalent Mg(4)Mg12 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; corners with twelve Mg(2,2,2)Mg10Mo2 cuboctahedra; edges with six Mg(1,1)Mg10Mn2 cuboctahedra; faces with two equivalent Mo(1)Mg12 cuboctahedra; faces with six Mg(1,1)Mg10Mn2 cuboctahedra; and faces with six equivalent Mg(4)Mg12 cuboctahedra.
Mg14MoMn crystallizes in the hexagonal P-6m2 space group. There are eight inequivalent Mg sites. In the first 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 four equivalent Mo(1)Mg12 cuboctahedra; corners with six equivalent Mg(1)Mg10Mn2 cuboctahedra; corners with eight Mg(2,2)Mg10Mo2 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; faces with two equivalent Mg(2)Mg10Mo2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Mn(1)Mg12 cuboctahedra; and faces with four equivalent Mg(1)Mg10Mn2 cuboctahedra. Both Mg(1)-Mg(4) bond lengths are 3.08 Å. There are two shorter (3.13 Å) and two longer (3.16 Å) Mg(1)-Mg(1) bond lengths. All Mg(1)-Mg(3,3) bond lengths are 3.12 Å. Both Mg(1)-Mn(1) bond lengths are 3.14 Å. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4); four Mg(2,2); four Mg(3,3); and two equivalent Mo(1) atoms to form distorted MgMg10Mo2 cuboctahedra that share corners with four equivalent Mn(1)Mg12 cuboctahedra; corners with six equivalent Mg(2)Mg10Mo2 cuboctahedra; corners with eight equivalent Mg(1)Mg10Mn2 cuboctahedra; edges with two equivalent Mo(1)Mg12 cuboctahedra; edges with four Mg(2,2)Mg10Mo2 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Mg(1)Mg10Mn2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Mo(1)Mg12 cuboctahedra; and faces with four Mg(2,2)Mg10Mo2 cuboctahedra. Both Mg(2)-Mg(4) bond lengths are 3.07 Å. There are two shorter (3.12 Å) and two longer (3.16 Å) Mg(2)-Mg(2,2) bond lengths. All Mg(2)-Mg(3,3) bond lengths are 3.06 Å. Both Mg(2)-Mo(1) bond lengths are 3.14 Å. In the third 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 four equivalent Mo(1)Mg12 cuboctahedra; corners with six equivalent Mg(1)Mg10Mn2 cuboctahedra; corners with eight Mg(2,2)Mg10Mo2 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; faces with two equivalent Mg(2)Mg10Mo2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Mn(1)Mg12 cuboctahedra; and faces with four Mg(1,1)Mg10Mn2 cuboctahedra. Both Mg(1)-Mg(4) bond lengths are 3.08 Å. There is one shorter (3.13 Å) and one longer (3.16 Å) Mg(1)-Mg(1) bond length. All Mg(1)-Mg(3) bond lengths are 3.12 Å. Both Mg(1)-Mn(1) bond lengths are 3.14 Å. In the fourth Mg site, Mg(2) is bonded to two equivalent Mg(4); four Mg(2,2); four equivalent Mg(3); and two equivalent Mo(1) atoms to form distorted MgMg10Mo2 cuboctahedra that share corners with four equivalent Mn(1)Mg12 cuboctahedra; corners with six equivalent Mg(2)Mg10Mo2 cuboctahedra; corners with eight Mg(1,1)Mg10Mn2 cuboctahedra; edges with two equivalent Mo(1)Mg12 cuboctahedra; edges with four Mg(2,2)Mg10Mo2 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Mg(1)Mg10Mn2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Mo(1)Mg12 cuboctahedra; and faces with four Mg(2,2)Mg10Mo2 cuboctahedra. Both Mg(2)-Mg(4) bond lengths are 3.07 Å. There is one shorter (3.12 Å) and one longer (3.16 Å) Mg(2)-Mg(2) bond length. All Mg(2)-Mg(3) bond lengths are 3.06 Å. Both Mg(2)-Mo(1) bond lengths are 3.14 Å. In the fifth Mg site, Mg(2) is bonded to two equivalent Mg(4); four Mg(2,2); four Mg(3,3); and two equivalent Mo(1) atoms to form distorted MgMg10Mo2 cuboctahedra that share corners with four equivalent Mn(1)Mg12 cuboctahedra; corners with six equivalent Mg(2)Mg10Mo2 cuboctahedra; corners with eight Mg(1,1)Mg10Mn2 cuboctahedra; edges with two equivalent Mo(1)Mg12 cuboctahedra; edges with four Mg(2,2)Mg10Mo2 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Mg(1)Mg10Mn2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Mo(1)Mg12 cuboctahedra; and faces with four Mg(2,2)Mg10Mo2 cuboctahedra. Both Mg(2)-Mg(4) bond lengths are 3.07 Å. All Mg(2)-Mg(3,3) bond lengths are 3.06 Å. Both Mg(2)-Mo(1) bond lengths are 3.14 Å. In the sixth Mg site, Mg(3) is bonded in a 12-coordinate geometry to two Mg(1,1); two Mg(2,2); two equivalent Mg(4); four Mg(3,3); one Mo(1); and one Mn(1) atom. Both Mg(3)-Mg(4) bond lengths are 3.14 Å. There are two shorter (3.00 Å) and two longer (3.28 Å) Mg(3)-Mg(3,3) bond lengths. The Mg(3)-Mo(1) bond length is 2.99 Å. The Mg(3)-Mn(1) bond length is 3.05 Å. In the seventh Mg site, Mg(3) is bonded in a 12-coordinate geometry to two Mg(1,1); two Mg(2,2); two equivalent Mg(4); four equivalent Mg(3); one Mo(1); and one Mn(1) atom. The Mg(3)-Mg(1) bond length is 3.12 Å. Both Mg(3)-Mg(4) bond lengths are 3.14 Å. The Mg(3)-Mo(1) bond length is 2.99 Å. The Mg(3)-Mn(1) bond length is 3.05 Å. In the eighth Mg site, Mg(4) is bonded to three Mg(1,1); three Mg(2,2,2); and six Mg(3,3) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(4)Mg12 cuboctahedra; edges with six Mg(1,1)Mg10Mn2 cuboctahedra; edges with six Mg(2,2,2)Mg10Mo2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with three Mg(1,1)Mg10Mn2 cuboctahedra; faces with three Mg(2,2,2)Mg10Mo2 cuboctahedra; faces with three equivalent Mo(1)Mg12 cuboctahedra; and faces with three equivalent Mn(1)Mg12 cuboctahedra. Mo(1) is bonded to six Mg(2,2,2) and six Mg(3,3) atoms to form MoMg12 cuboctahedra that share corners with six equivalent Mo(1)Mg12 cuboctahedra; corners with twelve Mg(1,1)Mg10Mn2 cuboctahedra; edges with six Mg(2,2,2)Mg10Mo2 cuboctahedra; faces with two equivalent Mn(1)Mg12 cuboctahedra; faces with six Mg(2,2,2)Mg10Mo2 cuboctahedra; and faces with six equivalent Mg(4)Mg12 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; corners with twelve Mg(2,2,2)Mg10Mo2 cuboctahedra; edges with six Mg(1,1)Mg10Mn2 cuboctahedra; faces with two equivalent Mo(1)Mg12 cuboctahedra; faces with six Mg(1,1)Mg10Mn2 cuboctahedra; and faces with six equivalent Mg(4)Mg12 cuboctahedra.