Na2FeO3 crystallizes in the monoclinic Pm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted pentagonal planar geometry to one O(1); two O(2,2); and two O(3,3) atoms. In the second Na site, Na(1) is bonded in a distorted pentagonal planar geometry to one O(1); two O(2,2); and two O(3,3) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing FeO4 tetrahedra. In the second Fe site, Fe(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing FeO4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to two Na(1,1) and two Fe(1,1) atoms. In the second O site, O(2) is bonded to four Na(1,1) and one Fe(1) atom to form a mixture of distorted corner and edge-sharing ONa4Fe trigonal bipyramids. In the third O site, O(3) is bonded to four Na(1,1) and one Fe(1) atom to form a mixture of distorted corner and edge-sharing ONa4Fe trigonal bipyramids. In the fourth O site, O(2) is bonded to four Na(1,1) and one Fe(1) atom to form a mixture of distorted corner and edge-sharing ONa4Fe trigonal bipyramids. In the fifth O site, O(3) is bonded to four Na(1,1) and one Fe(1) atom to form a mixture of distorted corner and edge-sharing ONa4Fe trigonal bipyramids.
Na2FeO3 crystallizes in the monoclinic Pm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted pentagonal planar geometry to one O(1); two O(2,2); and two O(3,3) atoms. The Na(1)-O(1) bond length is 2.50 Å. There is one shorter (2.32 Å) and one longer (2.44 Å) Na(1)-O(2,2) bond length. There is one shorter (2.32 Å) and one longer (2.45 Å) Na(1)-O(3,3) bond length. In the second Na site, Na(1) is bonded in a distorted pentagonal planar geometry to one O(1); two O(2,2); and two O(3,3) atoms. The Na(1)-O(1) bond length is 2.50 Å. There is one shorter (2.32 Å) and one longer (2.45 Å) Na(1)-O(2,2) bond length. There is one shorter (2.33 Å) and one longer (2.45 Å) Na(1)-O(3,3) bond length. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing FeO4 tetrahedra. The Fe(1)-O(2) bond length is 1.78 Å. The Fe(1)-O(3) bond length is 1.78 Å. Both Fe(1)-O(1) bond lengths are 1.86 Å. In the second Fe site, Fe(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing FeO4 tetrahedra. The Fe(1)-O(2) bond length is 1.78 Å. The Fe(1)-O(3) bond length is 1.78 Å. Both Fe(1)-O(1) bond lengths are 1.86 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to two Na(1,1) and two Fe(1,1) atoms. In the second O site, O(2) is bonded to four Na(1,1) and one Fe(1) atom to form a mixture of distorted corner and edge-sharing ONa4Fe trigonal bipyramids. In the third O site, O(3) is bonded to four Na(1,1) and one Fe(1) atom to form a mixture of distorted corner and edge-sharing ONa4Fe trigonal bipyramids. In the fourth O site, O(2) is bonded to four Na(1,1) and one Fe(1) atom to form a mixture of distorted corner and edge-sharing ONa4Fe trigonal bipyramids. In the fifth O site, O(3) is bonded to four Na(1,1) and one Fe(1) atom to form a mixture of distorted corner and edge-sharing ONa4Fe trigonal bipyramids.