Na3Be is alpha bismuth trifluoride 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 Na(2) and four equivalent Be(1) atoms to form a mixture of distorted face, corner, and edge-sharing NaNa4Be4 tetrahedra. In the second Na site, Na(2) is bonded in a body-centered cubic geometry to eight equivalent Na(1) atoms. Be(1) is bonded in a body-centered cubic geometry to eight equivalent Na(1) atoms.
Na3Be is alpha bismuth trifluoride 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 Na(2) and four equivalent Be(1) atoms to form a mixture of distorted face, corner, and edge-sharing NaNa4Be4 tetrahedra. All Na(1)-Na(2) bond lengths are 3.22 Å. All Na(1)-Be(1) bond lengths are 3.22 Å. In the second Na site, Na(2) is bonded in a body-centered cubic geometry to eight equivalent Na(1) atoms. Be(1) is bonded in a body-centered cubic geometry to eight equivalent Na(1) atoms.