Materials Data on Mn3Os by Materials Project
Mn3Os is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to eight Mn and four equivalent Os atoms to form distorted MnMn8Os4 cuboctahedra that share corners with four equivalent OsMn12 cuboctahedra, corners with fourteen MnMn8Os4 cuboctahedra, edges with six equivalent OsMn12 cuboctahedra, edges with twelve MnMn8Os4 cuboctahedra, faces with four equivalent OsMn12 cuboctahedra, and faces with sixteen MnMn8Os4 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.50–2.64 Å. There are two shorter (2.55 Å) and two longer (2.57 Å) Mn–Os bond lengths. In the second Mn site, Mn is bonded to eight equivalent Mn and four equivalent Os atoms to form distorted MnMn8Os4 cuboctahedra that share corners with four equivalent OsMn12 cuboctahedra, corners with fourteen MnMn8Os4 cuboctahedra, edges with six equivalent OsMn12 cuboctahedra, edges with twelve equivalent MnMn8Os4 cuboctahedra, faces with four equivalent OsMn12 cuboctahedra, and faces with sixteen MnMn8Os4 cuboctahedra. There are two shorter (2.55 Å) and two longer (2.57 Å) Mn–Os bond lengths. Os is bonded to twelve Mn atoms to form OsMn12 cuboctahedra that share corners with six equivalent OsMn12 cuboctahedra, corners with twelve equivalent MnMn8Os4 cuboctahedra, edges with eighteen MnMn8Os4 cuboctahedra, faces with eight equivalent OsMn12 cuboctahedra, and faces with twelve MnMn8Os4 cuboctahedra.