Materials Data on Na3Mo by Materials Project
Na3Mo is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Mo atoms to form a mixture of distorted edge and corner-sharing NaMo4 cuboctahedra. All Na–Mo bond lengths are 3.48 Å. In the second Na site, Na is bonded in a square co-planar geometry to four equivalent Mo atoms. All Na–Mo bond lengths are 3.39 Å. Mo is bonded to twelve Na atoms to form a mixture of edge, corner, and face-sharing MoNa12 cuboctahedra.
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