The material structure described by Na4FeO5 crystallizes in the triclinic P1 space group. There are sixteen inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(13), one O(18), one O(5), one O(6), and one O(9) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(12)O6 octahedra,  a cornercorner with one Na(13)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Na(6)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O5 square pyramid,  an edgeedge with one Na(10)O6 octahedra,  an edgeedge with one Na(11)O6 octahedra,  an edgeedge with one Na(13)O6 octahedra,  an edgeedge with one Na(14)O6 octahedra,  an edgeedge with one Na(16)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra,  an edgeedge with one Na(6)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra,  an edgeedge with one Na(9)O6 octahedra,  an edgeedge with one Fe(2)O5 square pyramid, and  an edgeedge with one Fe(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 11-24°. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(10), one O(14), one O(2), one O(20), one O(6), and one O(8) atom. In the third Na site, Na(3) is bonded to one O(11), one O(15), one O(17), one O(3), one O(5), and one O(7) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(10)O6 octahedra,  a cornercorner with one Na(15)O6 octahedra,  a cornercorner with one Na(4)O6 octahedra,  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Fe(2)O5 square pyramid,  a cornercorner with one Fe(3)O5 square pyramid,  an edgeedge with one Na(11)O6 octahedra,  an edgeedge with one Na(12)O6 octahedra,  an edgeedge with one Na(13)O6 octahedra,  an edgeedge with one Na(14)O6 octahedra,  an edgeedge with one Na(15)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra,  an edgeedge with one Na(8)O6 octahedra,  an edgeedge with one Na(9)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 18-29°. In the fourth Na site, Na(4) is bonded to one O(12), one O(16), one O(19), one O(4), one O(7), and one O(8) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(16)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Na(7)O6 octahedra,  a cornercorner with one Na(9)O6 octahedra,  a cornercorner with one Fe(2)O5 square pyramid,  a cornercorner with one Fe(4)O5 square pyramid,  an edgeedge with one Na(10)O6 octahedra,  an edgeedge with one Na(11)O6 octahedra,  an edgeedge with one Na(12)O6 octahedra,  an edgeedge with one Na(13)O6 octahedra,  an edgeedge with one Na(15)O6 octahedra,  an edgeedge with one Na(16)O6 octahedra,  an edgeedge with one Na(6)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra,  an edgeedge with one Na(8)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 18-32°. In the fifth Na site, Na(5) is bonded to one O(10), one O(15), one O(17), one O(3), one O(6), and one O(9) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(12)O6 octahedra,  a cornercorner with one Na(16)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Na(6)O6 octahedra,  a cornercorner with one Na(7)O6 octahedra,  a cornercorner with one Fe(3)O5 square pyramid,  a cornercorner with one Fe(4)O5 square pyramid,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(10)O6 octahedra,  an edgeedge with one Na(11)O6 octahedra,  an edgeedge with one Na(13)O6 octahedra,  an edgeedge with one Na(14)O6 octahedra,  an edgeedge with one Na(15)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(9)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 19-29°. In the sixth Na site, Na(6) is bonded to one O(1), one O(10), one O(12), one O(13), one O(18), and one O(8) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(11)O6 octahedra,  a cornercorner with one Na(15)O6 octahedra,  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Na(8)O6 octahedra,  a cornercorner with one Fe(2)O5 square pyramid,  a cornercorner with one Fe(4)O5 square pyramid,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(10)O6 octahedra,  an edgeedge with one Na(12)O6 octahedra,  an edgeedge with one Na(13)O6 octahedra,  an edgeedge with one Na(14)O6 octahedra,  an edgeedge with one Na(16)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Na(9)O6 octahedra,  an edgeedge with one Fe(2)O5 square pyramid, and  an edgeedge with one Fe(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 20-25°. In the seventh Na site, Na(7) is bonded to one O(11), one O(16), one O(19), one O(4), one O(5), and one O(9) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(10)O6 octahedra,  a cornercorner with one Na(14)O6 octahedra,  a cornercorner with one Na(4)O6 octahedra,  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Na(8)O6 octahedra,  a cornercorner with one Fe(2)O5 square pyramid,  a cornercorner with one Fe(3)O5 square pyramid,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(11)O6 octahedra,  an edgeedge with one Na(12)O6 octahedra,  an edgeedge with one Na(13)O6 octahedra,  an edgeedge with one Na(15)O6 octahedra,  an edgeedge with one Na(16)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Na(9)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 19-32°. In the eighth Na site, Na(8) is bonded to one O(11), one O(12), one O(14), one O(2), one O(20), and one O(7) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(13)O6 octahedra,  a cornercorner with one Na(6)O6 octahedra,  a cornercorner with one Na(7)O6 octahedra,  a cornercorner with one Na(9)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  an edgeedge with one Na(10)O6 octahedra,  an edgeedge with one Na(11)O6 octahedra,  an edgeedge with one Na(12)O6 octahedra,  an edgeedge with one Na(14)O6 octahedra,  an edgeedge with one Na(15)O6 octahedra,  an edgeedge with one Na(16)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O5 square pyramid, and  an edgeedge with one Fe(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 0-25°. In the ninth Na site, Na(9) is bonded to one O(10), one O(13), one O(15), one O(19), one O(2), and one O(5) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(10)O6 octahedra,  a cornercorner with one Na(11)O6 octahedra,  a cornercorner with one Na(14)O6 octahedra,  a cornercorner with one Na(4)O6 octahedra,  a cornercorner with one Na(8)O6 octahedra,  a cornercorner with one Fe(3)O5 square pyramid,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(13)O6 octahedra,  an edgeedge with one Na(14)O6 octahedra,  an edgeedge with one Na(15)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra,  an edgeedge with one Na(6)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra,  an edgeedge with one Fe(2)O5 square pyramid,  an edgeedge with one Fe(3)O5 square pyramid, and  an edgeedge with one Fe(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 0-26°. In the tenth Na site, Na(10) is bonded to one O(12), one O(13), one O(14), one O(17), one O(4), and one O(6) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(12)O6 octahedra,  a cornercorner with one Na(16)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Na(7)O6 octahedra,  a cornercorner with one Na(9)O6 octahedra,  a cornercorner with one Fe(2)O5 square pyramid,  a cornercorner with one Fe(4)O5 square pyramid,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(13)O6 octahedra,  an edgeedge with one Na(14)O6 octahedra,  an edgeedge with one Na(16)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra,  an edgeedge with one Na(6)O6 octahedra,  an edgeedge with one Na(8)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 21-32°. In the eleventh Na site, Na(11) is bonded to one O(1), one O(15), one O(16), one O(20), one O(7), and one O(9) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(12)O6 octahedra,  a cornercorner with one Na(13)O6 octahedra,  a cornercorner with one Na(6)O6 octahedra,  a cornercorner with one Na(9)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O5 square pyramid,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(13)O6 octahedra,  an edgeedge with one Na(15)O6 octahedra,  an edgeedge with one Na(16)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra,  an edgeedge with one Na(8)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 4-26°. In the twelfth Na site, Na(12) is bonded to one O(11), one O(14), one O(16), one O(18), one O(3), and one O(8) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(10)O6 octahedra,  a cornercorner with one Na(11)O6 octahedra,  a cornercorner with one Na(15)O6 octahedra,  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Fe(2)O5 square pyramid,  a cornercorner with one Fe(3)O5 square pyramid,  an edgeedge with one Na(14)O6 octahedra,  an edgeedge with one Na(15)O6 octahedra,  an edgeedge with one Na(16)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Na(6)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra,  an edgeedge with one Na(8)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 19-29°. In the thirteenth Na site, Na(13) is bonded to one O(1), one O(13), one O(17), one O(19), one O(7), and one O(9) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(11)O6 octahedra,  a cornercorner with one Na(14)O6 octahedra,  a cornercorner with one Na(15)O6 octahedra,  a cornercorner with one Na(8)O6 octahedra,  a cornercorner with one Fe(2)O5 square pyramid,  a cornercorner with one Fe(4)O5 square pyramid,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(10)O6 octahedra,  an edgeedge with one Na(11)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra,  an edgeedge with one Na(6)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra,  an edgeedge with one Na(9)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 20-26°. In the fourteenth Na site, Na(14) is bonded to one O(10), one O(14), one O(17), one O(18), one O(2), and one O(5) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(13)O6 octahedra,  a cornercorner with one Na(16)O6 octahedra,  a cornercorner with one Na(7)O6 octahedra,  a cornercorner with one Na(9)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(10)O6 octahedra,  an edgeedge with one Na(12)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra,  an edgeedge with one Na(6)O6 octahedra,  an edgeedge with one Na(8)O6 octahedra,  an edgeedge with one Na(9)O6 octahedra,  an edgeedge with one Fe(2)O5 square pyramid,  an edgeedge with one Fe(3)O5 square pyramid, and  an edgeedge with one Fe(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 2-26°. In the fifteenth Na site, Na(15) is bonded to one O(11), one O(15), one O(19), one O(20), one O(3), and one O(8) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(12)O6 octahedra,  a cornercorner with one Na(13)O6 octahedra,  a cornercorner with one Na(16)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Na(6)O6 octahedra,  a cornercorner with one Fe(3)O5 square pyramid,  a cornercorner with one Fe(4)O5 square pyramid,  an edgeedge with one Na(11)O6 octahedra,  an edgeedge with one Na(12)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra,  an edgeedge with one Na(8)O6 octahedra,  an edgeedge with one Na(9)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 20-29°. In the sixteenth Na site, Na(16) is bonded to one O(12), one O(16), one O(18), one O(20), one O(4), and one O(6) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(10)O6 octahedra,  a cornercorner with one Na(14)O6 octahedra,  a cornercorner with one Na(15)O6 octahedra,  a cornercorner with one Na(4)O6 octahedra,  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Fe(2)O5 square pyramid,  a cornercorner with one Fe(3)O5 square pyramid,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(10)O6 octahedra,  an edgeedge with one Na(11)O6 octahedra,  an edgeedge with one Na(12)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Na(6)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra,  an edgeedge with one Na(8)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 22-32°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(14), one O(20), one O(3), one O(4), one O(7), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(11)O6 octahedra,  a cornercorner with one Na(14)O6 octahedra,  a cornercorner with one Na(8)O6 octahedra,  an edgeedge with one Na(10)O6 octahedra,  an edgeedge with one Na(11)O6 octahedra,  an edgeedge with one Na(12)O6 octahedra,  an edgeedge with one Na(13)O6 octahedra,  an edgeedge with one Na(15)O6 octahedra,  an edgeedge with one Na(16)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra, and  an edgeedge with one Na(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the second Fe site, Fe(2) is bonded to one O(11), one O(13), one O(18), one O(2), and one O(8) atom to form FeO5 square pyramids that share  a cornercorner with one Na(10)O6 octahedra,  a cornercorner with one Na(12)O6 octahedra,  a cornercorner with one Na(13)O6 octahedra,  a cornercorner with one Na(16)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Na(4)O6 octahedra,  a cornercorner with one Na(6)O6 octahedra,  a cornercorner with one Na(7)O6 octahedra,  a cornercorner with one Fe(4)O5 square pyramid,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(12)O6 octahedra,  an edgeedge with one Na(14)O6 octahedra,  an edgeedge with one Na(15)O6 octahedra,  an edgeedge with one Na(6)O6 octahedra,  an edgeedge with one Na(8)O6 octahedra, and  an edgeedge with one Na(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-72°. In the third Fe site, Fe(3) is bonded to one O(1), one O(10), one O(16), one O(19), and one O(5) atom to form FeO5 square pyramids that share  a cornercorner with one Na(12)O6 octahedra,  a cornercorner with one Na(15)O6 octahedra,  a cornercorner with one Na(16)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Na(7)O6 octahedra,  a cornercorner with one Na(9)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(11)O6 octahedra,  an edgeedge with one Na(13)O6 octahedra,  an edgeedge with one Na(14)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Na(6)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra, and  an edgeedge with one Na(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-72°. In the fourth Fe site, Fe(4) is bonded to one O(12), one O(15), one O(17), one O(2), and one O(6) atom to form FeO5 square pyramids that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(10)O6 octahedra,  a cornercorner with one Na(11)O6 octahedra,  a cornercorner with one Na(13)O6 octahedra,  a cornercorner with one Na(15)O6 octahedra,  a cornercorner with one Na(4)O6 octahedra,  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Na(6)O6 octahedra,  a cornercorner with one Fe(2)O5 square pyramid,  an edgeedge with one Na(10)O6 octahedra,  an edgeedge with one Na(14)O6 octahedra,  an edgeedge with one Na(16)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra,  an edgeedge with one Na(8)O6 octahedra, and  an edgeedge with one Na(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-72°. There are twenty inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(11), one Na(13), one Na(6), and one Fe(3) atom to form a mixture of distorted edge and corner-sharing ONa4Fe square pyramids. The corner-sharing octahedral tilt angles are 15°. In the second O site, O(2) is bonded to one Na(14), one Na(2), one Na(8), one Na(9), one Fe(2), and one Fe(4) atom to form edge-sharing ONa4Fe2 octahedra. In the third O site, O(3) is bonded to one Na(12), one Na(15), one Na(3), one Na(5), and one Fe(1) atom to form distorted corner-sharing ONa4Fe trigonal bipyramids. In the fourth O site, O(4) is bonded to one Na(10), one Na(16), one Na(4), one Na(7), and one Fe(1) atom to form distorted ONa4Fe trigonal bipyramids that share  a cornercorner with one O(13)Na5Fe octahedra and  a cornercorner with one O(3)Na4Fe trigonal bipyramid. The corner-sharing octahedral tilt angles are 84°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Na(1), one Na(14), one Na(3), one Na(7), one Na(9), and one Fe(3) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Na(1), one Na(10), one Na(16), one Na(2), one Na(5), and one Fe(4) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Na(11), one Na(13), one Na(3), one Na(4), one Na(8), and one Fe(1) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Na(12), one Na(15), one Na(2), one Na(4), one Na(6), and one Fe(2) atom. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Na(1), one Na(11), one Na(13), one Na(5), one Na(7), and one Fe(1) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Na(14), one Na(2), one Na(5), one Na(6), one Na(9), and one Fe(3) atom. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one Na(12), one Na(15), one Na(3), one Na(7), one Na(8), and one Fe(2) atom. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to one Na(10), one Na(16), one Na(4), one Na(6), one Na(8), and one Fe(4) atom. In the thirteenth O site, O(13) is bonded to one Na(1), one Na(10), one Na(13), one Na(6), one Na(9), and one Fe(2) atom to form distorted ONa5Fe octahedra that share  a cornercorner with one O(1)Na4Fe square pyramid,  a cornercorner with one O(4)Na4Fe trigonal bipyramid,  an edgeedge with one O(2)Na4Fe2 octahedra, and  an edgeedge with one O(1)Na4Fe square pyramid. In the fourteenth O site, O(14) is bonded in a 6-coordinate geometry to one Na(10), one Na(12), one Na(14), one Na(2), one Na(8), and one Fe(1) atom. In the fifteenth O site, O(15) is bonded in a 6-coordinate geometry to one Na(11), one Na(15), one Na(3), one Na(5), one Na(9), and one Fe(4) atom. In the sixteenth O site, O(16) is bonded in a 6-coordinate geometry to one Na(11), one Na(12), one Na(16), one Na(4), one Na(7), and one Fe(3) atom. In the seventeenth O site, O(17) is bonded in a 6-coordinate geometry to one Na(10), one Na(13), one Na(14), one Na(3), one Na(5), and one Fe(4) atom. In the eighteenth O site, O(18) is bonded in a 6-coordinate geometry to one Na(1), one Na(12), one Na(14), one Na(16), one Na(6), and one Fe(2) atom. In the nineteenth O site, O(19) is bonded in a 6-coordinate geometry to one Na(13), one Na(15), one Na(4), one Na(7), one Na(9), and one Fe(3) atom. In the twentieth O site, O(20) is bonded in a 6-coordinate geometry to one Na(11), one Na(15), one Na(16), one Na(2), one Na(8), and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4FeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.314
_cell_length_b   8.844
_cell_length_c   8.751
_cell_angle_alpha   95.548
_cell_angle_beta   89.558
_cell_angle_gamma   114.326
_symmetry_Int_Tables_number   1
_cell_volume   513.094
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Na  Na0  1  0.193  0.799  0.205  1.0
  Na  Na1  1  0.950  0.305  0.457  1.0
  Na  Na2  1  0.437  0.299  0.953  1.0
  Na  Na3  1  0.689  0.802  0.697  1.0
  Na  Na4  1  0.095  0.392  0.093  1.0
  Na  Na5  1  0.850  0.896  0.348  1.0
  Na  Na6  1  0.349  0.895  0.837  1.0
  Na  Na7  1  0.598  0.400  0.599  1.0
  Na  Na8  1  0.653  0.100  0.151  1.0
  Na  Na9  1  0.406  0.610  0.399  1.0
  Na  Na10  1  0.893  0.600  0.912  1.0
  Na  Na11  1  0.151  0.096  0.657  1.0
  Na  Na12  1  0.562  0.705  0.068  1.0
  Na  Na13  1  0.303  0.197  0.296  1.0
  Na  Na14  1  0.801  0.192  0.802  1.0
  Na  Na15  1  0.059  0.708  0.542  1.0
  Fe  Fe16  1  0.248  0.498  0.756  1.0
  Fe  Fe17  1  0.518  0.036  0.481  1.0
  Fe  Fe18  1  0.985  0.970  0.009  1.0
  Fe  Fe19  1  0.733  0.464  0.268  1.0
  O  O20  1  0.897  0.789  0.108  1.0
  O  O21  1  0.627  0.250  0.375  1.0
  O  O22  1  0.144  0.300  0.837  1.0
  O  O23  1  0.331  0.681  0.644  1.0
  O  O24  1  0.256  0.036  0.043  1.0
  O  O25  1  0.007  0.531  0.304  1.0
  O  O26  1  0.509  0.547  0.819  1.0
  O  O27  1  0.759  0.037  0.551  1.0
  O  O28  1  0.257  0.624  0.940  1.0
  O  O29  1  0.993  0.121  0.170  1.0
  O  O30  1  0.492  0.124  0.679  1.0
  O  O31  1  0.737  0.616  0.434  1.0
  O  O32  1  0.514  0.883  0.316  1.0
  O  O33  1  0.270  0.382  0.572  1.0
  O  O34  1  0.757  0.375  0.070  1.0
  O  O35  1  0.010  0.877  0.816  1.0
  O  O36  1  0.488  0.459  0.200  1.0
  O  O37  1  0.243  0.970  0.445  1.0
  O  O38  1  0.744  0.964  0.943  1.0
  O  O39  1  0.992  0.474  0.704  1.0
[/CIF]
.
The material structure described by Na4FeO5 crystallizes in the triclinic P1 space group. There are sixteen inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(13), one O(18), one O(5), one O(6), and one O(9) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(12)O6 octahedra,  a cornercorner with one Na(13)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Na(6)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O5 square pyramid,  an edgeedge with one Na(10)O6 octahedra,  an edgeedge with one Na(11)O6 octahedra,  an edgeedge with one Na(13)O6 octahedra,  an edgeedge with one Na(14)O6 octahedra,  an edgeedge with one Na(16)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra,  an edgeedge with one Na(6)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra,  an edgeedge with one Na(9)O6 octahedra,  an edgeedge with one Fe(2)O5 square pyramid, and  an edgeedge with one Fe(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 11-24°. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(10), one O(14), one O(2), one O(20), one O(6), and one O(8) atom. In the third Na site, Na(3) is bonded to one O(11), one O(15), one O(17), one O(3), one O(5), and one O(7) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(10)O6 octahedra,  a cornercorner with one Na(15)O6 octahedra,  a cornercorner with one Na(4)O6 octahedra,  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Fe(2)O5 square pyramid,  a cornercorner with one Fe(3)O5 square pyramid,  an edgeedge with one Na(11)O6 octahedra,  an edgeedge with one Na(12)O6 octahedra,  an edgeedge with one Na(13)O6 octahedra,  an edgeedge with one Na(14)O6 octahedra,  an edgeedge with one Na(15)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra,  an edgeedge with one Na(8)O6 octahedra,  an edgeedge with one Na(9)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 18-29°. In the fourth Na site, Na(4) is bonded to one O(12), one O(16), one O(19), one O(4), one O(7), and one O(8) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(16)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Na(7)O6 octahedra,  a cornercorner with one Na(9)O6 octahedra,  a cornercorner with one Fe(2)O5 square pyramid,  a cornercorner with one Fe(4)O5 square pyramid,  an edgeedge with one Na(10)O6 octahedra,  an edgeedge with one Na(11)O6 octahedra,  an edgeedge with one Na(12)O6 octahedra,  an edgeedge with one Na(13)O6 octahedra,  an edgeedge with one Na(15)O6 octahedra,  an edgeedge with one Na(16)O6 octahedra,  an edgeedge with one Na(6)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra,  an edgeedge with one Na(8)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 18-32°. In the fifth Na site, Na(5) is bonded to one O(10), one O(15), one O(17), one O(3), one O(6), and one O(9) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(12)O6 octahedra,  a cornercorner with one Na(16)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Na(6)O6 octahedra,  a cornercorner with one Na(7)O6 octahedra,  a cornercorner with one Fe(3)O5 square pyramid,  a cornercorner with one Fe(4)O5 square pyramid,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(10)O6 octahedra,  an edgeedge with one Na(11)O6 octahedra,  an edgeedge with one Na(13)O6 octahedra,  an edgeedge with one Na(14)O6 octahedra,  an edgeedge with one Na(15)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(9)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 19-29°. In the sixth Na site, Na(6) is bonded to one O(1), one O(10), one O(12), one O(13), one O(18), and one O(8) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(11)O6 octahedra,  a cornercorner with one Na(15)O6 octahedra,  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Na(8)O6 octahedra,  a cornercorner with one Fe(2)O5 square pyramid,  a cornercorner with one Fe(4)O5 square pyramid,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(10)O6 octahedra,  an edgeedge with one Na(12)O6 octahedra,  an edgeedge with one Na(13)O6 octahedra,  an edgeedge with one Na(14)O6 octahedra,  an edgeedge with one Na(16)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Na(9)O6 octahedra,  an edgeedge with one Fe(2)O5 square pyramid, and  an edgeedge with one Fe(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 20-25°. In the seventh Na site, Na(7) is bonded to one O(11), one O(16), one O(19), one O(4), one O(5), and one O(9) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(10)O6 octahedra,  a cornercorner with one Na(14)O6 octahedra,  a cornercorner with one Na(4)O6 octahedra,  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Na(8)O6 octahedra,  a cornercorner with one Fe(2)O5 square pyramid,  a cornercorner with one Fe(3)O5 square pyramid,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(11)O6 octahedra,  an edgeedge with one Na(12)O6 octahedra,  an edgeedge with one Na(13)O6 octahedra,  an edgeedge with one Na(15)O6 octahedra,  an edgeedge with one Na(16)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Na(9)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 19-32°. In the eighth Na site, Na(8) is bonded to one O(11), one O(12), one O(14), one O(2), one O(20), and one O(7) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(13)O6 octahedra,  a cornercorner with one Na(6)O6 octahedra,  a cornercorner with one Na(7)O6 octahedra,  a cornercorner with one Na(9)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  an edgeedge with one Na(10)O6 octahedra,  an edgeedge with one Na(11)O6 octahedra,  an edgeedge with one Na(12)O6 octahedra,  an edgeedge with one Na(14)O6 octahedra,  an edgeedge with one Na(15)O6 octahedra,  an edgeedge with one Na(16)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O5 square pyramid, and  an edgeedge with one Fe(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 0-25°. In the ninth Na site, Na(9) is bonded to one O(10), one O(13), one O(15), one O(19), one O(2), and one O(5) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(10)O6 octahedra,  a cornercorner with one Na(11)O6 octahedra,  a cornercorner with one Na(14)O6 octahedra,  a cornercorner with one Na(4)O6 octahedra,  a cornercorner with one Na(8)O6 octahedra,  a cornercorner with one Fe(3)O5 square pyramid,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(13)O6 octahedra,  an edgeedge with one Na(14)O6 octahedra,  an edgeedge with one Na(15)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra,  an edgeedge with one Na(6)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra,  an edgeedge with one Fe(2)O5 square pyramid,  an edgeedge with one Fe(3)O5 square pyramid, and  an edgeedge with one Fe(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 0-26°. In the tenth Na site, Na(10) is bonded to one O(12), one O(13), one O(14), one O(17), one O(4), and one O(6) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(12)O6 octahedra,  a cornercorner with one Na(16)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Na(7)O6 octahedra,  a cornercorner with one Na(9)O6 octahedra,  a cornercorner with one Fe(2)O5 square pyramid,  a cornercorner with one Fe(4)O5 square pyramid,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(13)O6 octahedra,  an edgeedge with one Na(14)O6 octahedra,  an edgeedge with one Na(16)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra,  an edgeedge with one Na(6)O6 octahedra,  an edgeedge with one Na(8)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 21-32°. In the eleventh Na site, Na(11) is bonded to one O(1), one O(15), one O(16), one O(20), one O(7), and one O(9) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(12)O6 octahedra,  a cornercorner with one Na(13)O6 octahedra,  a cornercorner with one Na(6)O6 octahedra,  a cornercorner with one Na(9)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O5 square pyramid,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(13)O6 octahedra,  an edgeedge with one Na(15)O6 octahedra,  an edgeedge with one Na(16)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra,  an edgeedge with one Na(8)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 4-26°. In the twelfth Na site, Na(12) is bonded to one O(11), one O(14), one O(16), one O(18), one O(3), and one O(8) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(10)O6 octahedra,  a cornercorner with one Na(11)O6 octahedra,  a cornercorner with one Na(15)O6 octahedra,  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Fe(2)O5 square pyramid,  a cornercorner with one Fe(3)O5 square pyramid,  an edgeedge with one Na(14)O6 octahedra,  an edgeedge with one Na(15)O6 octahedra,  an edgeedge with one Na(16)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Na(6)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra,  an edgeedge with one Na(8)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 19-29°. In the thirteenth Na site, Na(13) is bonded to one O(1), one O(13), one O(17), one O(19), one O(7), and one O(9) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(11)O6 octahedra,  a cornercorner with one Na(14)O6 octahedra,  a cornercorner with one Na(15)O6 octahedra,  a cornercorner with one Na(8)O6 octahedra,  a cornercorner with one Fe(2)O5 square pyramid,  a cornercorner with one Fe(4)O5 square pyramid,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(10)O6 octahedra,  an edgeedge with one Na(11)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra,  an edgeedge with one Na(6)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra,  an edgeedge with one Na(9)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 20-26°. In the fourteenth Na site, Na(14) is bonded to one O(10), one O(14), one O(17), one O(18), one O(2), and one O(5) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(13)O6 octahedra,  a cornercorner with one Na(16)O6 octahedra,  a cornercorner with one Na(7)O6 octahedra,  a cornercorner with one Na(9)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(10)O6 octahedra,  an edgeedge with one Na(12)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra,  an edgeedge with one Na(6)O6 octahedra,  an edgeedge with one Na(8)O6 octahedra,  an edgeedge with one Na(9)O6 octahedra,  an edgeedge with one Fe(2)O5 square pyramid,  an edgeedge with one Fe(3)O5 square pyramid, and  an edgeedge with one Fe(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 2-26°. In the fifteenth Na site, Na(15) is bonded to one O(11), one O(15), one O(19), one O(20), one O(3), and one O(8) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(12)O6 octahedra,  a cornercorner with one Na(13)O6 octahedra,  a cornercorner with one Na(16)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Na(6)O6 octahedra,  a cornercorner with one Fe(3)O5 square pyramid,  a cornercorner with one Fe(4)O5 square pyramid,  an edgeedge with one Na(11)O6 octahedra,  an edgeedge with one Na(12)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra,  an edgeedge with one Na(8)O6 octahedra,  an edgeedge with one Na(9)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 20-29°. In the sixteenth Na site, Na(16) is bonded to one O(12), one O(16), one O(18), one O(20), one O(4), and one O(6) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(10)O6 octahedra,  a cornercorner with one Na(14)O6 octahedra,  a cornercorner with one Na(15)O6 octahedra,  a cornercorner with one Na(4)O6 octahedra,  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Fe(2)O5 square pyramid,  a cornercorner with one Fe(3)O5 square pyramid,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(10)O6 octahedra,  an edgeedge with one Na(11)O6 octahedra,  an edgeedge with one Na(12)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Na(6)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra,  an edgeedge with one Na(8)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 22-32°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(14), one O(20), one O(3), one O(4), one O(7), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(11)O6 octahedra,  a cornercorner with one Na(14)O6 octahedra,  a cornercorner with one Na(8)O6 octahedra,  an edgeedge with one Na(10)O6 octahedra,  an edgeedge with one Na(11)O6 octahedra,  an edgeedge with one Na(12)O6 octahedra,  an edgeedge with one Na(13)O6 octahedra,  an edgeedge with one Na(15)O6 octahedra,  an edgeedge with one Na(16)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra, and  an edgeedge with one Na(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the second Fe site, Fe(2) is bonded to one O(11), one O(13), one O(18), one O(2), and one O(8) atom to form FeO5 square pyramids that share  a cornercorner with one Na(10)O6 octahedra,  a cornercorner with one Na(12)O6 octahedra,  a cornercorner with one Na(13)O6 octahedra,  a cornercorner with one Na(16)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Na(4)O6 octahedra,  a cornercorner with one Na(6)O6 octahedra,  a cornercorner with one Na(7)O6 octahedra,  a cornercorner with one Fe(4)O5 square pyramid,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(12)O6 octahedra,  an edgeedge with one Na(14)O6 octahedra,  an edgeedge with one Na(15)O6 octahedra,  an edgeedge with one Na(6)O6 octahedra,  an edgeedge with one Na(8)O6 octahedra, and  an edgeedge with one Na(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-72°. In the third Fe site, Fe(3) is bonded to one O(1), one O(10), one O(16), one O(19), and one O(5) atom to form FeO5 square pyramids that share  a cornercorner with one Na(12)O6 octahedra,  a cornercorner with one Na(15)O6 octahedra,  a cornercorner with one Na(16)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Na(7)O6 octahedra,  a cornercorner with one Na(9)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(11)O6 octahedra,  an edgeedge with one Na(13)O6 octahedra,  an edgeedge with one Na(14)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Na(6)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra, and  an edgeedge with one Na(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-72°. In the fourth Fe site, Fe(4) is bonded to one O(12), one O(15), one O(17), one O(2), and one O(6) atom to form FeO5 square pyramids that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(10)O6 octahedra,  a cornercorner with one Na(11)O6 octahedra,  a cornercorner with one Na(13)O6 octahedra,  a cornercorner with one Na(15)O6 octahedra,  a cornercorner with one Na(4)O6 octahedra,  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Na(6)O6 octahedra,  a cornercorner with one Fe(2)O5 square pyramid,  an edgeedge with one Na(10)O6 octahedra,  an edgeedge with one Na(14)O6 octahedra,  an edgeedge with one Na(16)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra,  an edgeedge with one Na(8)O6 octahedra, and  an edgeedge with one Na(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-72°. There are twenty inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(11), one Na(13), one Na(6), and one Fe(3) atom to form a mixture of distorted edge and corner-sharing ONa4Fe square pyramids. The corner-sharing octahedral tilt angles are 15°. In the second O site, O(2) is bonded to one Na(14), one Na(2), one Na(8), one Na(9), one Fe(2), and one Fe(4) atom to form edge-sharing ONa4Fe2 octahedra. In the third O site, O(3) is bonded to one Na(12), one Na(15), one Na(3), one Na(5), and one Fe(1) atom to form distorted corner-sharing ONa4Fe trigonal bipyramids. In the fourth O site, O(4) is bonded to one Na(10), one Na(16), one Na(4), one Na(7), and one Fe(1) atom to form distorted ONa4Fe trigonal bipyramids that share  a cornercorner with one O(13)Na5Fe octahedra and  a cornercorner with one O(3)Na4Fe trigonal bipyramid. The corner-sharing octahedral tilt angles are 84°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Na(1), one Na(14), one Na(3), one Na(7), one Na(9), and one Fe(3) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Na(1), one Na(10), one Na(16), one Na(2), one Na(5), and one Fe(4) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Na(11), one Na(13), one Na(3), one Na(4), one Na(8), and one Fe(1) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Na(12), one Na(15), one Na(2), one Na(4), one Na(6), and one Fe(2) atom. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Na(1), one Na(11), one Na(13), one Na(5), one Na(7), and one Fe(1) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Na(14), one Na(2), one Na(5), one Na(6), one Na(9), and one Fe(3) atom. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one Na(12), one Na(15), one Na(3), one Na(7), one Na(8), and one Fe(2) atom. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to one Na(10), one Na(16), one Na(4), one Na(6), one Na(8), and one Fe(4) atom. In the thirteenth O site, O(13) is bonded to one Na(1), one Na(10), one Na(13), one Na(6), one Na(9), and one Fe(2) atom to form distorted ONa5Fe octahedra that share  a cornercorner with one O(1)Na4Fe square pyramid,  a cornercorner with one O(4)Na4Fe trigonal bipyramid,  an edgeedge with one O(2)Na4Fe2 octahedra, and  an edgeedge with one O(1)Na4Fe square pyramid. In the fourteenth O site, O(14) is bonded in a 6-coordinate geometry to one Na(10), one Na(12), one Na(14), one Na(2), one Na(8), and one Fe(1) atom. In the fifteenth O site, O(15) is bonded in a 6-coordinate geometry to one Na(11), one Na(15), one Na(3), one Na(5), one Na(9), and one Fe(4) atom. In the sixteenth O site, O(16) is bonded in a 6-coordinate geometry to one Na(11), one Na(12), one Na(16), one Na(4), one Na(7), and one Fe(3) atom. In the seventeenth O site, O(17) is bonded in a 6-coordinate geometry to one Na(10), one Na(13), one Na(14), one Na(3), one Na(5), and one Fe(4) atom. In the eighteenth O site, O(18) is bonded in a 6-coordinate geometry to one Na(1), one Na(12), one Na(14), one Na(16), one Na(6), and one Fe(2) atom. In the nineteenth O site, O(19) is bonded in a 6-coordinate geometry to one Na(13), one Na(15), one Na(4), one Na(7), one Na(9), and one Fe(3) atom. In the twentieth O site, O(20) is bonded in a 6-coordinate geometry to one Na(11), one Na(15), one Na(16), one Na(2), one Na(8), and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4FeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.314
_cell_length_b   8.844
_cell_length_c   8.751
_cell_angle_alpha   95.548
_cell_angle_beta   89.558
_cell_angle_gamma   114.326
_symmetry_Int_Tables_number   1
_cell_volume   513.094
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Na  Na0  1  0.193  0.799  0.205  1.0
  Na  Na1  1  0.950  0.305  0.457  1.0
  Na  Na2  1  0.437  0.299  0.953  1.0
  Na  Na3  1  0.689  0.802  0.697  1.0
  Na  Na4  1  0.095  0.392  0.093  1.0
  Na  Na5  1  0.850  0.896  0.348  1.0
  Na  Na6  1  0.349  0.895  0.837  1.0
  Na  Na7  1  0.598  0.400  0.599  1.0
  Na  Na8  1  0.653  0.100  0.151  1.0
  Na  Na9  1  0.406  0.610  0.399  1.0
  Na  Na10  1  0.893  0.600  0.912  1.0
  Na  Na11  1  0.151  0.096  0.657  1.0
  Na  Na12  1  0.562  0.705  0.068  1.0
  Na  Na13  1  0.303  0.197  0.296  1.0
  Na  Na14  1  0.801  0.192  0.802  1.0
  Na  Na15  1  0.059  0.708  0.542  1.0
  Fe  Fe16  1  0.248  0.498  0.756  1.0
  Fe  Fe17  1  0.518  0.036  0.481  1.0
  Fe  Fe18  1  0.985  0.970  0.009  1.0
  Fe  Fe19  1  0.733  0.464  0.268  1.0
  O  O20  1  0.897  0.789  0.108  1.0
  O  O21  1  0.627  0.250  0.375  1.0
  O  O22  1  0.144  0.300  0.837  1.0
  O  O23  1  0.331  0.681  0.644  1.0
  O  O24  1  0.256  0.036  0.043  1.0
  O  O25  1  0.007  0.531  0.304  1.0
  O  O26  1  0.509  0.547  0.819  1.0
  O  O27  1  0.759  0.037  0.551  1.0
  O  O28  1  0.257  0.624  0.940  1.0
  O  O29  1  0.993  0.121  0.170  1.0
  O  O30  1  0.492  0.124  0.679  1.0
  O  O31  1  0.737  0.616  0.434  1.0
  O  O32  1  0.514  0.883  0.316  1.0
  O  O33  1  0.270  0.382  0.572  1.0
  O  O34  1  0.757  0.375  0.070  1.0
  O  O35  1  0.010  0.877  0.816  1.0
  O  O36  1  0.488  0.459  0.200  1.0
  O  O37  1  0.243  0.970  0.445  1.0
  O  O38  1  0.744  0.964  0.943  1.0
  O  O39  1  0.992  0.474  0.704  1.0
[/CIF]
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