NaNbO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(3) atoms. Nb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 18-26°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Na(2), and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Na(2) and two equivalent Nb(1) atoms.
NaNbO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. Both Na(1)-O(1) bond lengths are 2.47 Å. There are two shorter (2.42 Å) and two longer (2.78 Å) Na(1)-O(2) bond lengths. In the second Na site, Na(2) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(3) atoms. Both Na(2)-O(2) bond lengths are 2.83 Å. There are two shorter (2.64 Å) and two longer (2.97 Å) Na(2)-O(1) bond lengths. All Na(2)-O(3) bond lengths are 2.57 Å. Nb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 18-26°. Both Nb(1)-O(1) bond lengths are 2.01 Å. Both Nb(1)-O(2) bond lengths are 2.01 Å. Both Nb(1)-O(3) bond lengths are 2.01 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Na(2), and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Na(2) and two equivalent Nb(1) atoms.