Na3Mo is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent Mo(1) atoms to form a mixture of distorted corner and edge-sharing NaMo4 cuboctahedra. In the second Na site, Na(2) is bonded in a square co-planar geometry to four equivalent Mo(1) atoms. Mo(1) is bonded to four equivalent Na(2) and eight equivalent Na(1) atoms to form a mixture of face, corner, and edge-sharing MoNa12 cuboctahedra.
Na3Mo is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent Mo(1) atoms to form a mixture of distorted corner and edge-sharing NaMo4 cuboctahedra. All Na(1)-Mo(1) bond lengths are 3.48 Å. In the second Na site, Na(2) is bonded in a square co-planar geometry to four equivalent Mo(1) atoms. All Na(2)-Mo(1) bond lengths are 3.39 Å. Mo(1) is bonded to four equivalent Na(2) and eight equivalent Na(1) atoms to form a mixture of face, corner, and edge-sharing MoNa12 cuboctahedra.