Materials Data on Na3C by Materials Project
Na3C is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four equivalent Na1+ and four equivalent C3- atoms to form a mixture of corner, edge, and face-sharing NaNa4C4 tetrahedra. All Na–Na bond lengths are 2.89 Å. All Na–C bond lengths are 2.89 Å. In the second Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight equivalent Na1+ atoms. C3- is bonded in a body-centered cubic geometry to eight equivalent Na1+ atoms.