NaNbO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a 3-coordinate geometry to two equivalent O(1), two equivalent O(2), and three equivalent O(3) 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 21-32°. There are four inequivalent O sites. In the first 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 second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Na(2) and two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Na(1) and two equivalent Nb(1) atoms to form distorted corner-sharing ONa2Nb2 tetrahedra.
NaNbO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(1) atoms. Both Na(1)-O(2) bond lengths are 2.66 Å. There is one shorter (2.43 Å) and one longer (2.45 Å) Na(1)-O(4) bond length. There are two shorter (2.45 Å) and two longer (2.66 Å) Na(1)-O(1) bond lengths. In the second Na site, Na(2) is bonded in a 3-coordinate geometry to two equivalent O(1), two equivalent O(2), and three equivalent O(3) atoms. Both Na(2)-O(1) bond lengths are 2.77 Å. Both Na(2)-O(2) bond lengths are 2.33 Å. There are a spread of Na(2)-O(3) bond distances ranging from 2.32-2.86 Å. 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 21-32°. 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 (2.16 Å) Nb(1)-O(1) bond length. There is one shorter (1.90 Å) and one longer (2.14 Å) Nb(1)-O(2) bond length. There are four inequivalent O sites. In the first 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 second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Na(2) and two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Na(1) and two equivalent Nb(1) atoms to form distorted corner-sharing ONa2Nb2 tetrahedra.