NaNbO3 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Pbcm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(3), and four equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(2) atoms. Nb(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 21-31°. There are four inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to three equivalent Na(1) and two equivalent Nb(1) atoms. In the second O site, O(4) is bonded to two equivalent Na(2) and two equivalent Nb(1) atoms to form distorted corner-sharing ONa2Nb2 tetrahedra. In the third O site, O(1) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), and two equivalent Nb(1) atoms. In the fourth O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), and two equivalent Nb(1) atoms.
NaNbO3 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Pbcm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(3), and four equivalent O(1) atoms. Both Na(1)-O(2) bond lengths are 2.77 Å. There is one shorter (2.32 Å) and two longer (2.83 Å) Na(1)-O(3) bond lengths. There are two shorter (2.33 Å) and two longer (2.88 Å) Na(1)-O(1) bond lengths. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(2) atoms. Both Na(2)-O(1) bond lengths are 2.67 Å. There is one shorter (2.42 Å) and one longer (2.44 Å) Na(2)-O(4) bond length. There are two shorter (2.45 Å) and two longer (2.65 Å) Na(2)-O(2) bond lengths. Nb(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 21-31°. The Nb(1)-O(3) bond length is 2.00 Å. The Nb(1)-O(4) bond length is 2.00 Å. There is one shorter (1.90 Å) and one longer (2.14 Å) Nb(1)-O(1) bond length. There is one shorter (1.90 Å) and one longer (2.15 Å) Nb(1)-O(2) bond length. There are four inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to three equivalent Na(1) and two equivalent Nb(1) atoms. In the second O site, O(4) is bonded to two equivalent Na(2) and two equivalent Nb(1) atoms to form distorted corner-sharing ONa2Nb2 tetrahedra. In the third O site, O(1) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), and two equivalent Nb(1) atoms. In the fourth O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), and two equivalent Nb(1) atoms.