Mn12Pt4N crystallizes in the monoclinic P2/m space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted single-bond geometry to two equivalent Mn(3), two equivalent Pt(1), two equivalent Pt(2), and one N(1) atom. In the second Mn site, Mn(2) is bonded in a 12-coordinate geometry to two equivalent Mn(4), six equivalent Mn(3), two equivalent Pt(1), and two equivalent Pt(2) atoms. In the third Mn site, Mn(3) is bonded in a 12-coordinate geometry to one Mn(1), three equivalent Mn(2), four equivalent Mn(3), one Pt(1), and three equivalent Pt(2) atoms. In the fourth Mn site, Mn(4) is bonded in a distorted single-bond geometry to one Mn(2), one Pt(2), three equivalent Pt(1), and one N(1) atom. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to two equivalent Mn(1), two equivalent Mn(2), two equivalent Mn(3), and six equivalent Mn(4) atoms to form PtMn12 cuboctahedra that share corners with two equivalent Pt(1)Mn12 cuboctahedra, corners with four equivalent Pt(2)Mn12 cuboctahedra, corners with two equivalent N(1)Mn6 octahedra, faces with four equivalent Pt(1)Mn12 cuboctahedra, faces with four equivalent Pt(2)Mn12 cuboctahedra, and faces with two equivalent N(1)Mn6 octahedra. The corner-sharing octahedral tilt angles are 19°. In the second Pt site, Pt(2) is bonded to two equivalent Mn(1), two equivalent Mn(2), two equivalent Mn(4), and six equivalent Mn(3) atoms to form PtMn12 cuboctahedra that share corners with two equivalent Pt(2)Mn12 cuboctahedra, corners with four equivalent Pt(1)Mn12 cuboctahedra,  a cornercorner with one N(1)Mn6 octahedra, faces with four equivalent Pt(1)Mn12 cuboctahedra, faces with four equivalent Pt(2)Mn12 cuboctahedra, and  a faceface with one N(1)Mn6 octahedra. The corner-sharing octahedral tilt angles are 17°. N(1) is bonded to two equivalent Mn(1) and four equivalent Mn(4) atoms to form NMn6 octahedra that share corners with two equivalent Pt(2)Mn12 cuboctahedra, corners with four equivalent Pt(1)Mn12 cuboctahedra, faces with two equivalent Pt(2)Mn12 cuboctahedra, and faces with four equivalent Pt(1)Mn12 cuboctahedra.
Mn12Pt4N crystallizes in the monoclinic P2/m space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted single-bond geometry to two equivalent Mn(3), two equivalent Pt(1), two equivalent Pt(2), and one N(1) atom. Both Mn(1)-Mn(3) bond lengths are 2.79 Å. Both Mn(1)-Pt(1) bond lengths are 2.63 Å. There is one shorter (2.60 Å) and one longer (2.67 Å) Mn(1)-Pt(2) bond length. The Mn(1)-N(1) bond length is 1.94 Å. In the second Mn site, Mn(2) is bonded in a 12-coordinate geometry to two equivalent Mn(4), six equivalent Mn(3), two equivalent Pt(1), and two equivalent Pt(2) atoms. Both Mn(2)-Mn(4) bond lengths are 2.81 Å. There are a spread of Mn(2)-Mn(3) bond distances ranging from 2.35-2.53 Å. There is one shorter (2.66 Å) and one longer (2.68 Å) Mn(2)-Pt(1) bond length. Both Mn(2)-Pt(2) bond lengths are 2.63 Å. In the third Mn site, Mn(3) is bonded in a 12-coordinate geometry to one Mn(1), three equivalent Mn(2), four equivalent Mn(3), one Pt(1), and three equivalent Pt(2) atoms. There are a spread of Mn(3)-Mn(3) bond distances ranging from 2.39-2.87 Å. The Mn(3)-Pt(1) bond length is 2.62 Å. There is one shorter (2.58 Å) and two longer (2.67 Å) Mn(3)-Pt(2) bond lengths. In the fourth Mn site, Mn(4) is bonded in a distorted single-bond geometry to one Mn(2), one Pt(2), three equivalent Pt(1), and one N(1) atom. The Mn(4)-Pt(2) bond length is 2.74 Å. There are a spread of Mn(4)-Pt(1) bond distances ranging from 2.58-2.76 Å. The Mn(4)-N(1) bond length is 1.91 Å. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to two equivalent Mn(1), two equivalent Mn(2), two equivalent Mn(3), and six equivalent Mn(4) atoms to form PtMn12 cuboctahedra that share corners with two equivalent Pt(1)Mn12 cuboctahedra, corners with four equivalent Pt(2)Mn12 cuboctahedra, corners with two equivalent N(1)Mn6 octahedra, faces with four equivalent Pt(1)Mn12 cuboctahedra, faces with four equivalent Pt(2)Mn12 cuboctahedra, and faces with two equivalent N(1)Mn6 octahedra. The corner-sharing octahedral tilt angles are 19°. In the second Pt site, Pt(2) is bonded to two equivalent Mn(1), two equivalent Mn(2), two equivalent Mn(4), and six equivalent Mn(3) atoms to form PtMn12 cuboctahedra that share corners with two equivalent Pt(2)Mn12 cuboctahedra, corners with four equivalent Pt(1)Mn12 cuboctahedra,  a cornercorner with one N(1)Mn6 octahedra, faces with four equivalent Pt(1)Mn12 cuboctahedra, faces with four equivalent Pt(2)Mn12 cuboctahedra, and  a faceface with one N(1)Mn6 octahedra. The corner-sharing octahedral tilt angles are 17°. N(1) is bonded to two equivalent Mn(1) and four equivalent Mn(4) atoms to form NMn6 octahedra that share corners with two equivalent Pt(2)Mn12 cuboctahedra, corners with four equivalent Pt(1)Mn12 cuboctahedra, faces with two equivalent Pt(2)Mn12 cuboctahedra, and faces with four equivalent Pt(1)Mn12 cuboctahedra.