NaNbO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pmn2_1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(4), and four equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(3), and four equivalent O(4) atoms. Nb(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 15-33°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted tetrahedral geometry to one Na(1), one Na(2), and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a 4-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 5-coordinate geometry to one Na(2), two equivalent Na(1), and two equivalent Nb(1) atoms. In the fourth O site, O(4) 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 structured and crystallizes in the orthorhombic Pmn2_1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(4), and four equivalent O(3) atoms. The Na(1)-O(1) bond length is 2.29 Å. There is one shorter (2.62 Å) and one longer (3.00 Å) Na(1)-O(2) bond length. Both Na(1)-O(4) bond lengths are 2.41 Å. There are two shorter (2.69 Å) and two longer (2.83 Å) Na(1)-O(3) bond lengths. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(3), and four equivalent O(4) atoms. The Na(2)-O(1) bond length is 2.52 Å. The Na(2)-O(2) bond length is 2.50 Å. Both Na(2)-O(3) bond lengths are 2.37 Å. There are two shorter (2.63 Å) and two longer (2.75 Å) Na(2)-O(4) bond lengths. Nb(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 15-33°. The Nb(1)-O(1) bond length is 2.00 Å. The Nb(1)-O(2) bond length is 2.00 Å. There is one shorter (1.91 Å) and one longer (2.12 Å) Nb(1)-O(3) bond length. There is one shorter (1.91 Å) and one longer (2.13 Å) Nb(1)-O(4) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted tetrahedral geometry to one Na(1), one Na(2), and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a 4-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 5-coordinate geometry to one Na(2), two equivalent Na(1), and two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), and two equivalent Nb(1) atoms.