Materials Data on Mg3Os by Materials Project
Mg3Os is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight equivalent Mg and four equivalent Os atoms to form MgMg8Os4 cuboctahedra that share corners with four equivalent MgMg8Os4 cuboctahedra, corners with eight equivalent OsMg12 cuboctahedra, edges with eight equivalent MgMg8Os4 cuboctahedra, faces with four equivalent MgMg8Os4 cuboctahedra, and faces with six equivalent OsMg12 cuboctahedra. All Mg–Mg bond lengths are 2.86 Å. All Mg–Os bond lengths are 2.99 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to four equivalent Mg and four equivalent Os atoms. All Mg–Os bond lengths are 2.86 Å. Os is bonded to twelve Mg atoms to form OsMg12 cuboctahedra that share corners with four equivalent OsMg12 cuboctahedra, corners with eight equivalent MgMg8Os4 cuboctahedra, edges with eight equivalent OsMg12 cuboctahedra, faces with four equivalent OsMg12 cuboctahedra, and faces with six equivalent MgMg8Os4 cuboctahedra.