NaBaSmMnO6 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(2) atoms. In the second Na site, Na(2) is bonded in a square co-planar geometry to four equivalent O(3) 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 BaO12 cuboctahedra that share faces with four equivalent Sm(1)O6 octahedra and faces with four equivalent Mn(1)O6 octahedra. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. Sm(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SmO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 12-15°. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Sm(1)O6 octahedra and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 12-15°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one Sm(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Na(1), one Ba(1), one Ba(2), one Sm(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(2), one Ba(1), one Ba(2), one Sm(1), and one Mn(1) atom.
NaBaSmMnO6 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(2) atoms. All Na(1)-O(2) bond lengths are 2.72 Å. In the second Na site, Na(2) is bonded in a square co-planar geometry to four equivalent O(3) atoms. All Na(2)-O(3) bond lengths are 2.70 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 BaO12 cuboctahedra that share faces with four equivalent Sm(1)O6 octahedra and faces with four equivalent Mn(1)O6 octahedra. All Ba(1)-O(1) bond lengths are 2.90 Å. All Ba(1)-O(2) bond lengths are 2.89 Å. All Ba(1)-O(3) bond lengths are 3.05 Å. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. All Ba(2)-O(1) bond lengths are 2.77 Å. All Ba(2)-O(2) bond lengths are 3.22 Å. All Ba(2)-O(3) bond lengths are 2.91 Å. Sm(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SmO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 12-15°. Both Sm(1)-O(1) bond lengths are 2.29 Å. Both Sm(1)-O(2) bond lengths are 2.31 Å. Both Sm(1)-O(3) bond lengths are 2.31 Å. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Sm(1)O6 octahedra and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 12-15°. Both Mn(1)-O(1) bond lengths are 1.92 Å. Both Mn(1)-O(2) bond lengths are 1.92 Å. Both Mn(1)-O(3) bond lengths are 1.93 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one Sm(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Na(1), one Ba(1), one Ba(2), one Sm(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(2), one Ba(1), one Ba(2), one Sm(1), and one Mn(1) atom.