NaBaWBiO6 crystallizes in the orthorhombic Pnnn space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted square co-planar geometry to four equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a square co-planar geometry to four equivalent O(1) atoms. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form distorted BaO12 cuboctahedra that share faces with four equivalent W(1)O6 octahedra and faces with four equivalent Bi(1)O6 octahedra. In the second Ba site, Ba(2) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 18-27°. Bi(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form BiO6 octahedra that share corners with six equivalent W(1)O6 octahedra and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 18-27°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(2), one Ba(1), one Ba(2), one W(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one W(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Ba(1), one W(1), and one Bi(1) atom.
NaBaWBiO6 crystallizes in the orthorhombic Pnnn space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted square co-planar geometry to four equivalent O(3) atoms. All Na(1)-O(3) bond lengths are 2.56 Å. In the second Na site, Na(2) is bonded in a square co-planar geometry to four equivalent O(1) atoms. All Na(2)-O(1) bond lengths are 2.54 Å. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form distorted BaO12 cuboctahedra that share faces with four equivalent W(1)O6 octahedra and faces with four equivalent Bi(1)O6 octahedra. All Ba(1)-O(1) bond lengths are 3.16 Å. All Ba(1)-O(2) bond lengths are 2.92 Å. All Ba(1)-O(3) bond lengths are 2.88 Å. In the second Ba site, Ba(2) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. All Ba(2)-O(1) bond lengths are 2.92 Å. All Ba(2)-O(2) bond lengths are 2.68 Å. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 18-27°. Both W(1)-O(1) bond lengths are 1.97 Å. Both W(1)-O(2) bond lengths are 1.96 Å. Both W(1)-O(3) bond lengths are 1.96 Å. Bi(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form BiO6 octahedra that share corners with six equivalent W(1)O6 octahedra and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 18-27°. Both Bi(1)-O(1) bond lengths are 2.39 Å. Both Bi(1)-O(2) bond lengths are 2.35 Å. Both Bi(1)-O(3) bond lengths are 2.37 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(2), one Ba(1), one Ba(2), one W(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one W(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Ba(1), one W(1), and one Bi(1) atom.