Mn14Sb13 crystallizes in the monoclinic C2/c space group. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one Mn(6), one Sb(1), one Sb(2), one Sb(3), one Sb(4), one Sb(6), and one Sb(7) atom. In the second Mn site, Mn(2) is bonded to one Sb(3), one Sb(6), two equivalent Sb(1), and two equivalent Sb(2) atoms to form distorted MnSb6 octahedra that share corners with two equivalent Mn(7)MnSb6 octahedra, corners with three equivalent Mn(3)Sb6 octahedra, corners with three equivalent Mn(4)Sb6 octahedra,  a cornercorner with one Mn(8)Mn2Sb5 trigonal bipyramid, edges with two equivalent Mn(2)Sb6 octahedra,  a faceface with one Mn(7)MnSb6 octahedra, and  a faceface with one Mn(3)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the third Mn site, Mn(3) is bonded to one Sb(1), one Sb(2), one Sb(4), one Sb(5), and two equivalent Sb(3) atoms to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(7)MnSb6 octahedra, corners with three equivalent Mn(2)Sb6 octahedra,  a cornercorner with one Mn(8)Mn2Sb5 trigonal bipyramid,  an edgeedge with one Mn(3)Sb6 octahedra, edges with two equivalent Mn(7)MnSb6 octahedra, edges with two equivalent Mn(4)Sb6 octahedra, and  a faceface with one Mn(2)Sb6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the fourth Mn site, Mn(4) is bonded to two equivalent Sb(2), two equivalent Sb(3), and two equivalent Sb(4) atoms to form distorted MnSb6 octahedra that share corners with six equivalent Mn(2)Sb6 octahedra, corners with two equivalent Mn(8)Mn2Sb5 trigonal bipyramids, edges with two equivalent Mn(7)MnSb6 octahedra, and edges with four equivalent Mn(3)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the fifth Mn site, Mn(5) is bonded in a 6-coordinate geometry to one Sb(3), one Sb(4), one Sb(5), one Sb(7), and two equivalent Sb(6) atoms. In the sixth Mn site, Mn(6) is bonded in a 9-coordinate geometry to one Mn(1), one Mn(7), one Mn(8), one Sb(1), one Sb(4), one Sb(6), one Sb(7), and two equivalent Sb(5) atoms. In the seventh Mn site, Mn(7) is bonded to one Mn(6), one Sb(1), one Sb(2), one Sb(4), one Sb(6), and two equivalent Sb(5) atoms to form distorted MnMnSb6 octahedra that share  a cornercorner with one Mn(3)Sb6 octahedra, corners with two equivalent Mn(7)MnSb6 octahedra, corners with two equivalent Mn(2)Sb6 octahedra,  a cornercorner with one Mn(8)Mn2Sb5 trigonal bipyramid,  an edgeedge with one Mn(4)Sb6 octahedra, edges with two equivalent Mn(3)Sb6 octahedra,  an edgeedge with one Mn(8)Mn2Sb5 trigonal bipyramid, and  a faceface with one Mn(2)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the eighth Mn site, Mn(8) is bonded to two equivalent Mn(6), one Sb(7), two equivalent Sb(4), and two equivalent Sb(6) atoms to form distorted MnMn2Sb5 trigonal bipyramids that share corners with two equivalent Mn(7)MnSb6 octahedra, corners with two equivalent Mn(2)Sb6 octahedra, corners with two equivalent Mn(3)Sb6 octahedra, corners with two equivalent Mn(4)Sb6 octahedra, and edges with two equivalent Mn(7)MnSb6 octahedra. The corner-sharing octahedral tilt angles range from 32-59°. There are seven inequivalent Sb sites. In the first Sb site, Sb(6) is bonded in a 7-coordinate geometry to one Mn(1), one Mn(2), one Mn(6), one Mn(7), one Mn(8), and two equivalent Mn(5) atoms. In the second Sb site, Sb(7) is bonded in a 7-coordinate geometry to one Mn(8), two equivalent Mn(1), two equivalent Mn(5), and two equivalent Mn(6) atoms. In the third Sb site, Sb(1) is bonded in a 6-coordinate geometry to one Mn(1), one Mn(3), one Mn(6), one Mn(7), and two equivalent Mn(2) atoms. In the fourth Sb site, Sb(2) is bonded in a 6-coordinate geometry to one Mn(1), one Mn(3), one Mn(4), one Mn(7), and two equivalent Mn(2) atoms. In the fifth Sb site, Sb(3) is bonded in a 6-coordinate geometry to one Mn(1), one Mn(2), one Mn(4), one Mn(5), and two equivalent Mn(3) atoms. In the sixth Sb site, Sb(4) is bonded in a 7-coordinate geometry to one Mn(1), one Mn(3), one Mn(4), one Mn(5), one Mn(6), one Mn(7), and one Mn(8) atom. In the seventh Sb site, Sb(5) is bonded in a 6-coordinate geometry to one Mn(3), one Mn(5), two equivalent Mn(6), and two equivalent Mn(7) atoms.
Mn14Sb13 crystallizes in the monoclinic C2/c space group. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one Mn(6), one Sb(1), one Sb(2), one Sb(3), one Sb(4), one Sb(6), and one Sb(7) atom. The Mn(1)-Mn(6) bond length is 2.73 Å. The Mn(1)-Sb(1) bond length is 2.73 Å. The Mn(1)-Sb(2) bond length is 2.76 Å. The Mn(1)-Sb(3) bond length is 2.75 Å. The Mn(1)-Sb(4) bond length is 2.73 Å. The Mn(1)-Sb(6) bond length is 2.81 Å. The Mn(1)-Sb(7) bond length is 2.81 Å. In the second Mn site, Mn(2) is bonded to one Sb(3), one Sb(6), two equivalent Sb(1), and two equivalent Sb(2) atoms to form distorted MnSb6 octahedra that share corners with two equivalent Mn(7)MnSb6 octahedra, corners with three equivalent Mn(3)Sb6 octahedra, corners with three equivalent Mn(4)Sb6 octahedra,  a cornercorner with one Mn(8)Mn2Sb5 trigonal bipyramid, edges with two equivalent Mn(2)Sb6 octahedra,  a faceface with one Mn(7)MnSb6 octahedra, and  a faceface with one Mn(3)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. The Mn(2)-Sb(3) bond length is 2.75 Å. The Mn(2)-Sb(6) bond length is 2.66 Å. There is one shorter (2.71 Å) and one longer (2.74 Å) Mn(2)-Sb(1) bond length. There is one shorter (2.75 Å) and one longer (2.76 Å) Mn(2)-Sb(2) bond length. In the third Mn site, Mn(3) is bonded to one Sb(1), one Sb(2), one Sb(4), one Sb(5), and two equivalent Sb(3) atoms to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(7)MnSb6 octahedra, corners with three equivalent Mn(2)Sb6 octahedra,  a cornercorner with one Mn(8)Mn2Sb5 trigonal bipyramid,  an edgeedge with one Mn(3)Sb6 octahedra, edges with two equivalent Mn(7)MnSb6 octahedra, edges with two equivalent Mn(4)Sb6 octahedra, and  a faceface with one Mn(2)Sb6 octahedra. The corner-sharing octahedral tilt angles are 51°. The Mn(3)-Sb(1) bond length is 2.76 Å. The Mn(3)-Sb(2) bond length is 2.78 Å. The Mn(3)-Sb(4) bond length is 2.78 Å. The Mn(3)-Sb(5) bond length is 2.75 Å. There is one shorter (2.75 Å) and one longer (2.77 Å) Mn(3)-Sb(3) bond length. In the fourth Mn site, Mn(4) is bonded to two equivalent Sb(2), two equivalent Sb(3), and two equivalent Sb(4) atoms to form distorted MnSb6 octahedra that share corners with six equivalent Mn(2)Sb6 octahedra, corners with two equivalent Mn(8)Mn2Sb5 trigonal bipyramids, edges with two equivalent Mn(7)MnSb6 octahedra, and edges with four equivalent Mn(3)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. Both Mn(4)-Sb(2) bond lengths are 2.76 Å. Both Mn(4)-Sb(3) bond lengths are 2.76 Å. Both Mn(4)-Sb(4) bond lengths are 2.77 Å. In the fifth Mn site, Mn(5) is bonded in a 6-coordinate geometry to one Sb(3), one Sb(4), one Sb(5), one Sb(7), and two equivalent Sb(6) atoms. The Mn(5)-Sb(3) bond length is 2.74 Å. The Mn(5)-Sb(4) bond length is 2.72 Å. The Mn(5)-Sb(5) bond length is 2.78 Å. The Mn(5)-Sb(7) bond length is 2.64 Å. There is one shorter (2.80 Å) and one longer (2.83 Å) Mn(5)-Sb(6) bond length. In the sixth Mn site, Mn(6) is bonded in a 9-coordinate geometry to one Mn(1), one Mn(7), one Mn(8), one Sb(1), one Sb(4), one Sb(6), one Sb(7), and two equivalent Sb(5) atoms. The Mn(6)-Mn(7) bond length is 2.78 Å. The Mn(6)-Mn(8) bond length is 2.75 Å. The Mn(6)-Sb(1) bond length is 2.73 Å. The Mn(6)-Sb(4) bond length is 2.75 Å. The Mn(6)-Sb(6) bond length is 2.78 Å. The Mn(6)-Sb(7) bond length is 2.82 Å. Both Mn(6)-Sb(5) bond lengths are 2.77 Å. In the seventh Mn site, Mn(7) is bonded to one Mn(6), one Sb(1), one Sb(2), one Sb(4), one Sb(6), and two equivalent Sb(5) atoms to form distorted MnMnSb6 octahedra that share  a cornercorner with one Mn(3)Sb6 octahedra, corners with two equivalent Mn(7)MnSb6 octahedra, corners with two equivalent Mn(2)Sb6 octahedra,  a cornercorner with one Mn(8)Mn2Sb5 trigonal bipyramid,  an edgeedge with one Mn(4)Sb6 octahedra, edges with two equivalent Mn(3)Sb6 octahedra,  an edgeedge with one Mn(8)Mn2Sb5 trigonal bipyramid, and  a faceface with one Mn(2)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. The Mn(7)-Sb(1) bond length is 2.76 Å. The Mn(7)-Sb(2) bond length is 2.77 Å. The Mn(7)-Sb(4) bond length is 2.74 Å. The Mn(7)-Sb(6) bond length is 2.68 Å. There is one shorter (2.74 Å) and one longer (2.76 Å) Mn(7)-Sb(5) bond length. In the eighth Mn site, Mn(8) is bonded to two equivalent Mn(6), one Sb(7), two equivalent Sb(4), and two equivalent Sb(6) atoms to form distorted MnMn2Sb5 trigonal bipyramids that share corners with two equivalent Mn(7)MnSb6 octahedra, corners with two equivalent Mn(2)Sb6 octahedra, corners with two equivalent Mn(3)Sb6 octahedra, corners with two equivalent Mn(4)Sb6 octahedra, and edges with two equivalent Mn(7)MnSb6 octahedra. The corner-sharing octahedral tilt angles range from 32-59°. The Mn(8)-Sb(7) bond length is 2.52 Å. Both Mn(8)-Sb(4) bond lengths are 2.71 Å. Both Mn(8)-Sb(6) bond lengths are 2.53 Å. There are seven inequivalent Sb sites. In the first Sb site, Sb(6) is bonded in a 7-coordinate geometry to one Mn(1), one Mn(2), one Mn(6), one Mn(7), one Mn(8), and two equivalent Mn(5) atoms. In the second Sb site, Sb(7) is bonded in a 7-coordinate geometry to one Mn(8), two equivalent Mn(1), two equivalent Mn(5), and two equivalent Mn(6) atoms. In the third Sb site, Sb(1) is bonded in a 6-coordinate geometry to one Mn(1), one Mn(3), one Mn(6), one Mn(7), and two equivalent Mn(2) atoms. In the fourth Sb site, Sb(2) is bonded in a 6-coordinate geometry to one Mn(1), one Mn(3), one Mn(4), one Mn(7), and two equivalent Mn(2) atoms. In the fifth Sb site, Sb(3) is bonded in a 6-coordinate geometry to one Mn(1), one Mn(2), one Mn(4), one Mn(5), and two equivalent Mn(3) atoms. In the sixth Sb site, Sb(4) is bonded in a 7-coordinate geometry to one Mn(1), one Mn(3), one Mn(4), one Mn(5), one Mn(6), one Mn(7), and one Mn(8) atom. In the seventh Sb site, Sb(5) is bonded in a 6-coordinate geometry to one Mn(3), one Mn(5), two equivalent Mn(6), and two equivalent Mn(7) atoms.