Mn6Zn2CN is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a linear geometry to four equivalent Zn(1), one C(1), and one N(1) atom. In the second Mn site, Mn(2) is bonded in a linear geometry to four equivalent Zn(1) and two equivalent N(1) atoms. In the third Mn site, Mn(3) is bonded in a linear geometry to four equivalent Zn(1) and two equivalent C(1) atoms. Zn(1) is bonded to four equivalent Mn(1), four equivalent Mn(2), and four equivalent Mn(3) atoms to form ZnMn12 cuboctahedra that share corners with twelve equivalent Zn(1)Mn12 cuboctahedra, faces with six equivalent Zn(1)Mn12 cuboctahedra, faces with four equivalent C(1)Mn6 octahedra, and faces with four equivalent N(1)Mn6 octahedra. C(1) is bonded to two equivalent Mn(1) and four equivalent Mn(3) atoms to form CMn6 octahedra that share corners with two equivalent N(1)Mn6 octahedra, corners with four equivalent C(1)Mn6 octahedra, and faces with eight equivalent Zn(1)Mn12 cuboctahedra. The corner-sharing octahedra are not tilted. N(1) is bonded to two equivalent Mn(1) and four equivalent Mn(2) atoms to form NMn6 octahedra that share corners with two equivalent C(1)Mn6 octahedra, corners with four equivalent N(1)Mn6 octahedra, and faces with eight equivalent Zn(1)Mn12 cuboctahedra. The corner-sharing octahedra are not tilted.
Mn6Zn2CN is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a linear geometry to four equivalent Zn(1), one C(1), and one N(1) atom. All Mn(1)-Zn(1) bond lengths are 2.74 Å. The Mn(1)-C(1) bond length is 1.91 Å. The Mn(1)-N(1) bond length is 1.89 Å. In the second Mn site, Mn(2) is bonded in a linear geometry to four equivalent Zn(1) and two equivalent N(1) atoms. All Mn(2)-Zn(1) bond lengths are 2.72 Å. Both Mn(2)-N(1) bond lengths are 1.94 Å. In the third Mn site, Mn(3) is bonded in a linear geometry to four equivalent Zn(1) and two equivalent C(1) atoms. All Mn(3)-Zn(1) bond lengths are 2.71 Å. Both Mn(3)-C(1) bond lengths are 1.94 Å. Zn(1) is bonded to four equivalent Mn(1), four equivalent Mn(2), and four equivalent Mn(3) atoms to form ZnMn12 cuboctahedra that share corners with twelve equivalent Zn(1)Mn12 cuboctahedra, faces with six equivalent Zn(1)Mn12 cuboctahedra, faces with four equivalent C(1)Mn6 octahedra, and faces with four equivalent N(1)Mn6 octahedra. C(1) is bonded to two equivalent Mn(1) and four equivalent Mn(3) atoms to form CMn6 octahedra that share corners with two equivalent N(1)Mn6 octahedra, corners with four equivalent C(1)Mn6 octahedra, and faces with eight equivalent Zn(1)Mn12 cuboctahedra. The corner-sharing octahedra are not tilted. N(1) is bonded to two equivalent Mn(1) and four equivalent Mn(2) atoms to form NMn6 octahedra that share corners with two equivalent C(1)Mn6 octahedra, corners with four equivalent N(1)Mn6 octahedra, and faces with eight equivalent Zn(1)Mn12 cuboctahedra. The corner-sharing octahedra are not tilted.