Na2FeO3 is High Pressure (4-7GPa) Tellurium-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted NaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with four equivalent Fe(1)O6 octahedra, and edges with six equivalent Na(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-16°. In the second Na site, Na(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Na(3)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with four equivalent Na(3)O6 octahedra, and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-19°. In the third Na site, Na(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted NaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, edges with three equivalent Na(3)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-19°. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted FeO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Na(3)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with four equivalent Na(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-17°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(2), two equivalent Na(3), and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing ONa4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the second O site, O(2) is bonded to one Na(1), one Na(2), two equivalent Na(3), and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing ONa4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the third O site, O(3) is bonded to one Na(1), one Na(2), two equivalent Na(3), and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing ONa4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°.
Na2FeO3 is High Pressure (4-7GPa) Tellurium-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted NaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with four equivalent Fe(1)O6 octahedra, and edges with six equivalent Na(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-16°. Both Na(1)-O(1) bond lengths are 2.20 Å. Both Na(1)-O(2) bond lengths are 2.42 Å. Both Na(1)-O(3) bond lengths are 2.42 Å. In the second Na site, Na(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Na(3)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with four equivalent Na(3)O6 octahedra, and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-19°. Both Na(2)-O(1) bond lengths are 2.20 Å. Both Na(2)-O(2) bond lengths are 2.38 Å. Both Na(2)-O(3) bond lengths are 2.20 Å. In the third Na site, Na(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted NaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, edges with three equivalent Na(3)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-19°. Both Na(3)-O(1) bond lengths are 2.37 Å. There is one shorter (2.29 Å) and one longer (2.51 Å) Na(3)-O(2) bond length. There is one shorter (2.23 Å) and one longer (2.48 Å) Na(3)-O(3) bond length. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted FeO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Na(3)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with four equivalent Na(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-17°. There is one shorter (1.83 Å) and one longer (2.28 Å) Fe(1)-O(1) bond length. There is one shorter (1.92 Å) and one longer (1.93 Å) Fe(1)-O(2) bond length. There is one shorter (1.83 Å) and one longer (2.20 Å) Fe(1)-O(3) bond length. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(2), two equivalent Na(3), and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing ONa4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the second O site, O(2) is bonded to one Na(1), one Na(2), two equivalent Na(3), and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing ONa4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the third O site, O(3) is bonded to one Na(1), one Na(2), two equivalent Na(3), and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing ONa4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°.