Na11Li5Ba14N6 crystallizes in the cubic F-43m space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 12-coordinate geometry to three equivalent Na(1), three equivalent Na(2), three equivalent Ba(1), and three equivalent Ba(2) atoms. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to two equivalent Na(1), two equivalent Li(1), two equivalent Ba(2), and two equivalent Ba(3) atoms. In the third Na site, Na(3) is bonded to six equivalent Ba(1) atoms to form NaBa6 octahedra that share faces with four equivalent Li(1)Ba3Na3 octahedra. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to three equivalent Na(2) and three equivalent Ba(1) atoms to form distorted LiBa3Na3 octahedra that share corners with six equivalent Li(1)Ba3Na3 octahedra and  a faceface with one Na(3)Ba6 octahedra. The corner-sharing octahedral tilt angles range from 39-82°. In the second Li site, Li(2) is bonded in an octahedral geometry to six equivalent N(1) atoms. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a single-bond geometry to one Na(3), two equivalent Na(1), two equivalent Li(1), and one N(1) atom. In the second Ba site, Ba(2) is bonded in a distorted T-shaped geometry to three equivalent Na(1), three equivalent Na(2), and three equivalent N(1) atoms. In the third Ba site, Ba(3) is bonded in a 3-coordinate geometry to three equivalent Na(2) and three equivalent N(1) atoms. N(1) is bonded in a 6-coordinate geometry to one Li(2), one Ba(1), two equivalent Ba(2), and two equivalent Ba(3) atoms.
Na11Li5Ba14N6 crystallizes in the cubic F-43m space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 12-coordinate geometry to three equivalent Na(1), three equivalent Na(2), three equivalent Ba(1), and three equivalent Ba(2) atoms. All Na(1)-Na(1) bond lengths are 4.03 Å. All Na(1)-Na(2) bond lengths are 3.81 Å. All Na(1)-Ba(1) bond lengths are 4.38 Å. All Na(1)-Ba(2) bond lengths are 4.42 Å. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to two equivalent Na(1), two equivalent Li(1), two equivalent Ba(2), and two equivalent Ba(3) atoms. Both Na(2)-Li(1) bond lengths are 3.60 Å. Both Na(2)-Ba(2) bond lengths are 4.25 Å. Both Na(2)-Ba(3) bond lengths are 4.07 Å. In the third Na site, Na(3) is bonded to six equivalent Ba(1) atoms to form NaBa6 octahedra that share faces with four equivalent Li(1)Ba3Na3 octahedra. All Na(3)-Ba(1) bond lengths are 3.84 Å. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to three equivalent Na(2) and three equivalent Ba(1) atoms to form distorted LiBa3Na3 octahedra that share corners with six equivalent Li(1)Ba3Na3 octahedra and  a faceface with one Na(3)Ba6 octahedra. The corner-sharing octahedral tilt angles range from 39-82°. All Li(1)-Ba(1) bond lengths are 3.84 Å. In the second Li site, Li(2) is bonded in an octahedral geometry to six equivalent N(1) atoms. All Li(2)-N(1) bond lengths are 2.60 Å. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a single-bond geometry to one Na(3), two equivalent Na(1), two equivalent Li(1), and one N(1) atom. The Ba(1)-N(1) bond length is 2.50 Å. In the second Ba site, Ba(2) is bonded in a distorted T-shaped geometry to three equivalent Na(1), three equivalent Na(2), and three equivalent N(1) atoms. All Ba(2)-N(1) bond lengths are 2.70 Å. In the third Ba site, Ba(3) is bonded in a 3-coordinate geometry to three equivalent Na(2) and three equivalent N(1) atoms. All Ba(3)-N(1) bond lengths are 2.72 Å. N(1) is bonded in a 6-coordinate geometry to one Li(2), one Ba(1), two equivalent Ba(2), and two equivalent Ba(3) atoms.