The crystal structure described by Na5Fe11O16 is Caswellsilverite-like structured and crystallizes in the monoclinic Cm space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(10), one O(12), one O(3), one O(4), and one O(7) atom to form NaO6 octahedra that share corners with three equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the second Na site, Na(2) is bonded to one O(11), one O(2), one O(5), one O(6), one O(8), and one O(9) atom to form NaO6 octahedra that share corners with three equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Fe(5)O6 octahedra, and edges with two equivalent Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the third Na site, Na(3) is bonded to one O(12), one O(4), two equivalent O(1), and two equivalent O(10) atoms to form NaO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(8)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with four equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. There are nine inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4), one O(8), two equivalent O(1), and two equivalent O(2) atoms to form FeO6 octahedra that share corners with three equivalent Na(3)O6 octahedra, corners with three equivalent Fe(9)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Fe(6)O6 octahedra, and edges with four equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the second Fe site, Fe(2) is bonded to one O(3), one O(7), two equivalent O(1), and two equivalent O(10) atoms to form FeO6 octahedra that share corners with three equivalent Fe(6)O6 octahedra, corners with three equivalent Fe(7)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with four equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-14°. In the third Fe site, Fe(3) is bonded to one O(10), one O(11), one O(12), one O(3), one O(6), and one O(9) atom to form FeO6 octahedra that share corners with three equivalent Na(1)O6 octahedra, corners with three equivalent Na(2)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(7)O6 octahedra, and edges with two equivalent Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with three equivalent Na(1)O6 octahedra, corners with three equivalent Na(2)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the fifth Fe site, Fe(5) is bonded to one O(11), one O(5), two equivalent O(2), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with three equivalent Fe(6)O6 octahedra, corners with three equivalent Fe(7)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, edges with two equivalent Fe(9)O6 octahedra, and edges with four equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-12°. In the sixth Fe site, Fe(6) is bonded to one O(5), one O(7), two equivalent O(1), and two equivalent O(2) atoms to form FeO6 octahedra that share corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(5)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-14°. In the seventh Fe site, Fe(7) is bonded to one O(11), one O(3), two equivalent O(10), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(5)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Fe(8)O6 octahedra, and edges with four equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the eighth Fe site, Fe(8) is bonded to one O(12), one O(6), two equivalent O(10), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with three equivalent Na(3)O6 octahedra, corners with three equivalent Fe(9)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Fe(7)O6 octahedra, and edges with four equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the ninth Fe site, Fe(9) is bonded to one O(6), one O(8), two equivalent O(2), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(8)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, edges with two equivalent Fe(5)O6 octahedra, and edges with four equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(3), one Fe(1), one Fe(2), one Fe(4), and one Fe(6) atom to form ONa2Fe4 octahedra that share corners with three equivalent O(10)Na2Fe4 octahedra, corners with three equivalent O(2)NaFe5 octahedra,  an edgeedge with one O(10)Na2Fe4 octahedra,  an edgeedge with one O(3)Na2Fe4 octahedra,  an edgeedge with one O(5)Na2Fe4 octahedra,  an edgeedge with one O(8)Na2Fe4 octahedra,  an edgeedge with one O(12)Na3Fe3 octahedra,  an edgeedge with one O(2)NaFe5 octahedra, edges with two equivalent O(1)Na2Fe4 octahedra, edges with two equivalent O(7)Na2Fe4 octahedra, and edges with two equivalent O(4)Na3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second O site, O(2) is bonded to one Na(2), one Fe(1), one Fe(4), one Fe(5), one Fe(6), and one Fe(9) atom to form ONaFe5 octahedra that share corners with three equivalent O(1)Na2Fe4 octahedra, corners with three equivalent O(9)NaFe5 octahedra,  an edgeedge with one O(1)Na2Fe4 octahedra,  an edgeedge with one O(11)Na2Fe4 octahedra,  an edgeedge with one O(6)Na2Fe4 octahedra,  an edgeedge with one O(7)Na2Fe4 octahedra,  an edgeedge with one O(4)Na3Fe3 octahedra,  an edgeedge with one O(9)NaFe5 octahedra, edges with two equivalent O(5)Na2Fe4 octahedra, edges with two equivalent O(8)Na2Fe4 octahedra, and edges with two equivalent O(2)NaFe5 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the third O site, O(3) is bonded to two equivalent Na(1), one Fe(2), one Fe(7), and two equivalent Fe(3) atoms to form ONa2Fe4 octahedra that share corners with three equivalent O(11)Na2Fe4 octahedra, corners with three equivalent O(7)Na2Fe4 octahedra,  an edgeedge with one O(6)Na2Fe4 octahedra,  an edgeedge with one O(4)Na3Fe3 octahedra, edges with two equivalent O(1)Na2Fe4 octahedra, edges with two equivalent O(12)Na3Fe3 octahedra, edges with two equivalent O(9)NaFe5 octahedra, and edges with four equivalent O(10)Na2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the fourth O site, O(4) is bonded to one Na(3), two equivalent Na(1), one Fe(1), and two equivalent Fe(4) atoms to form ONa3Fe3 octahedra that share corners with three equivalent O(8)Na2Fe4 octahedra, corners with three equivalent O(12)Na3Fe3 octahedra,  an edgeedge with one O(3)Na2Fe4 octahedra,  an edgeedge with one O(5)Na2Fe4 octahedra, edges with two equivalent O(10)Na2Fe4 octahedra, edges with two equivalent O(7)Na2Fe4 octahedra, edges with two equivalent O(2)NaFe5 octahedra, and edges with four equivalent O(1)Na2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fifth O site, O(5) is bonded to two equivalent Na(2), one Fe(5), one Fe(6), and two equivalent Fe(4) atoms to form ONa2Fe4 octahedra that share corners with three equivalent O(11)Na2Fe4 octahedra, corners with three equivalent O(7)Na2Fe4 octahedra,  an edgeedge with one O(6)Na2Fe4 octahedra,  an edgeedge with one O(4)Na3Fe3 octahedra, edges with two equivalent O(1)Na2Fe4 octahedra, edges with two equivalent O(8)Na2Fe4 octahedra, edges with two equivalent O(9)NaFe5 octahedra, and edges with four equivalent O(2)NaFe5 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixth O site, O(6) is bonded to two equivalent Na(2), one Fe(8), one Fe(9), and two equivalent Fe(3) atoms to form ONa2Fe4 octahedra that share corners with three equivalent O(8)Na2Fe4 octahedra, corners with three equivalent O(12)Na3Fe3 octahedra,  an edgeedge with one O(3)Na2Fe4 octahedra,  an edgeedge with one O(5)Na2Fe4 octahedra, edges with two equivalent O(10)Na2Fe4 octahedra, edges with two equivalent O(11)Na2Fe4 octahedra, edges with two equivalent O(2)NaFe5 octahedra, and edges with four equivalent O(9)NaFe5 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the seventh O site, O(7) is bonded to two equivalent Na(1), one Fe(2), one Fe(6), and two equivalent Fe(4) atoms to form ONa2Fe4 octahedra that share corners with three equivalent O(3)Na2Fe4 octahedra, corners with three equivalent O(5)Na2Fe4 octahedra,  an edgeedge with one O(8)Na2Fe4 octahedra,  an edgeedge with one O(12)Na3Fe3 octahedra, edges with two equivalent O(10)Na2Fe4 octahedra, edges with two equivalent O(4)Na3Fe3 octahedra, edges with two equivalent O(2)NaFe5 octahedra, and edges with four equivalent O(1)Na2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the eighth O site, O(8) is bonded to two equivalent Na(2), one Fe(1), one Fe(9), and two equivalent Fe(4) atoms to form ONa2Fe4 octahedra that share corners with three equivalent O(6)Na2Fe4 octahedra, corners with three equivalent O(4)Na3Fe3 octahedra,  an edgeedge with one O(11)Na2Fe4 octahedra,  an edgeedge with one O(7)Na2Fe4 octahedra, edges with two equivalent O(1)Na2Fe4 octahedra, edges with two equivalent O(5)Na2Fe4 octahedra, edges with two equivalent O(9)NaFe5 octahedra, and edges with four equivalent O(2)NaFe5 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the ninth O site, O(9) is bonded to one Na(2), one Fe(3), one Fe(5), one Fe(7), one Fe(8), and one Fe(9) atom to form ONaFe5 octahedra that share corners with three equivalent O(10)Na2Fe4 octahedra, corners with three equivalent O(2)NaFe5 octahedra,  an edgeedge with one O(10)Na2Fe4 octahedra,  an edgeedge with one O(3)Na2Fe4 octahedra,  an edgeedge with one O(5)Na2Fe4 octahedra,  an edgeedge with one O(8)Na2Fe4 octahedra,  an edgeedge with one O(12)Na3Fe3 octahedra,  an edgeedge with one O(2)NaFe5 octahedra, edges with two equivalent O(11)Na2Fe4 octahedra, edges with two equivalent O(6)Na2Fe4 octahedra, and edges with two equivalent O(9)NaFe5 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the tenth O site, O(10) is bonded to one Na(1), one Na(3), one Fe(2), one Fe(3), one Fe(7), and one Fe(8) atom to form ONa2Fe4 octahedra that share corners with three equivalent O(1)Na2Fe4 octahedra, corners with three equivalent O(9)NaFe5 octahedra,  an edgeedge with one O(1)Na2Fe4 octahedra,  an edgeedge with one O(11)Na2Fe4 octahedra,  an edgeedge with one O(6)Na2Fe4 octahedra,  an edgeedge with one O(7)Na2Fe4 octahedra,  an edgeedge with one O(4)Na3Fe3 octahedra,  an edgeedge with one O(9)NaFe5 octahedra, edges with two equivalent O(10)Na2Fe4 octahedra, edges with two equivalent O(3)Na2Fe4 octahedra, and edges with two equivalent O(12)Na3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the eleventh O site, O(11) is bonded to two equivalent Na(2), one Fe(5), one Fe(7), and two equivalent Fe(3) atoms to form ONa2Fe4 octahedra that share corners with three equivalent O(3)Na2Fe4 octahedra, corners with three equivalent O(5)Na2Fe4 octahedra,  an edgeedge with one O(8)Na2Fe4 octahedra,  an edgeedge with one O(12)Na3Fe3 octahedra, edges with two equivalent O(10)Na2Fe4 octahedra, edges with two equivalent O(6)Na2Fe4 octahedra, edges with two equivalent O(2)NaFe5 octahedra, and edges with four equivalent O(9)NaFe5 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the twelfth O site, O(12) is bonded to one Na(3), two equivalent Na(1), one Fe(8), and two equivalent Fe(3) atoms to form ONa3Fe3 octahedra that share corners with three equivalent O(6)Na2Fe4 octahedra, corners with three equivalent O(4)Na3Fe3 octahedra,  an edgeedge with one O(11)Na2Fe4 octahedra,  an edgeedge with one O(7)Na2Fe4 octahedra, edges with two equivalent O(1)Na2Fe4 octahedra, edges with two equivalent O(3)Na2Fe4 octahedra, edges with two equivalent O(9)NaFe5 octahedra, and edges with four equivalent O(10)Na2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. is represented by the CIF card [CIF]
data_Na5Fe11O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.202
_cell_length_b   6.202
_cell_length_c   10.956
_cell_angle_alpha   74.238
_cell_angle_beta   74.238
_cell_angle_gamma   59.933
_symmetry_Int_Tables_number   1
_cell_volume   346.348
_cell_formula_units_Z   1
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  0.812  0.315  0.060  1.0
  Na  Na1  1  0.315  0.812  0.060  1.0
  Na  Na2  1  0.812  0.314  0.566  1.0
  Na  Na3  1  0.812  0.812  0.064  1.0
  Na  Na4  1  0.314  0.812  0.566  1.0
  Fe  Fe5  1  0.064  0.064  0.315  1.0
  Fe  Fe6  1  0.316  0.316  0.058  1.0
  Fe  Fe7  1  0.565  0.059  0.814  1.0
  Fe  Fe8  1  0.063  0.566  0.314  1.0
  Fe  Fe9  1  0.566  0.063  0.314  1.0
  Fe  Fe10  1  0.812  0.812  0.567  1.0
  Fe  Fe11  1  0.565  0.565  0.313  1.0
  Fe  Fe12  1  0.061  0.061  0.815  1.0
  Fe  Fe13  1  0.563  0.563  0.810  1.0
  Fe  Fe14  1  0.314  0.314  0.567  1.0
  Fe  Fe15  1  0.059  0.565  0.814  1.0
  O  O16  1  0.957  0.417  0.208  1.0
  O  O17  1  0.698  0.168  0.431  1.0
  O  O18  1  0.198  0.198  0.920  1.0
  O  O19  1  0.933  0.933  0.213  1.0
  O  O20  1  0.702  0.702  0.418  1.0
  O  O21  1  0.422  0.422  0.700  1.0
  O  O22  1  0.427  0.427  0.209  1.0
  O  O23  1  0.203  0.203  0.425  1.0
  O  O24  1  0.446  0.952  0.692  1.0
  O  O25  1  0.417  0.957  0.208  1.0
  O  O26  1  0.952  0.446  0.692  1.0
  O  O27  1  0.669  0.191  0.925  1.0
  O  O28  1  0.191  0.669  0.925  1.0
  O  O29  1  0.168  0.698  0.431  1.0
  O  O30  1  0.927  0.927  0.706  1.0
  O  O31  1  0.698  0.698  0.914  1.0
[/CIF]
.
The crystal structure described by Na5Fe11O16 is Caswellsilverite-like structured and crystallizes in the monoclinic Cm space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(10), one O(12), one O(3), one O(4), and one O(7) atom to form NaO6 octahedra that share corners with three equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the second Na site, Na(2) is bonded to one O(11), one O(2), one O(5), one O(6), one O(8), and one O(9) atom to form NaO6 octahedra that share corners with three equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Fe(5)O6 octahedra, and edges with two equivalent Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the third Na site, Na(3) is bonded to one O(12), one O(4), two equivalent O(1), and two equivalent O(10) atoms to form NaO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(8)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with four equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. There are nine inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4), one O(8), two equivalent O(1), and two equivalent O(2) atoms to form FeO6 octahedra that share corners with three equivalent Na(3)O6 octahedra, corners with three equivalent Fe(9)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Fe(6)O6 octahedra, and edges with four equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the second Fe site, Fe(2) is bonded to one O(3), one O(7), two equivalent O(1), and two equivalent O(10) atoms to form FeO6 octahedra that share corners with three equivalent Fe(6)O6 octahedra, corners with three equivalent Fe(7)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with four equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-14°. In the third Fe site, Fe(3) is bonded to one O(10), one O(11), one O(12), one O(3), one O(6), and one O(9) atom to form FeO6 octahedra that share corners with three equivalent Na(1)O6 octahedra, corners with three equivalent Na(2)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(7)O6 octahedra, and edges with two equivalent Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with three equivalent Na(1)O6 octahedra, corners with three equivalent Na(2)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the fifth Fe site, Fe(5) is bonded to one O(11), one O(5), two equivalent O(2), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with three equivalent Fe(6)O6 octahedra, corners with three equivalent Fe(7)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, edges with two equivalent Fe(9)O6 octahedra, and edges with four equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-12°. In the sixth Fe site, Fe(6) is bonded to one O(5), one O(7), two equivalent O(1), and two equivalent O(2) atoms to form FeO6 octahedra that share corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(5)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-14°. In the seventh Fe site, Fe(7) is bonded to one O(11), one O(3), two equivalent O(10), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(5)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Fe(8)O6 octahedra, and edges with four equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the eighth Fe site, Fe(8) is bonded to one O(12), one O(6), two equivalent O(10), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with three equivalent Na(3)O6 octahedra, corners with three equivalent Fe(9)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Fe(7)O6 octahedra, and edges with four equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the ninth Fe site, Fe(9) is bonded to one O(6), one O(8), two equivalent O(2), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(8)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, edges with two equivalent Fe(5)O6 octahedra, and edges with four equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(3), one Fe(1), one Fe(2), one Fe(4), and one Fe(6) atom to form ONa2Fe4 octahedra that share corners with three equivalent O(10)Na2Fe4 octahedra, corners with three equivalent O(2)NaFe5 octahedra,  an edgeedge with one O(10)Na2Fe4 octahedra,  an edgeedge with one O(3)Na2Fe4 octahedra,  an edgeedge with one O(5)Na2Fe4 octahedra,  an edgeedge with one O(8)Na2Fe4 octahedra,  an edgeedge with one O(12)Na3Fe3 octahedra,  an edgeedge with one O(2)NaFe5 octahedra, edges with two equivalent O(1)Na2Fe4 octahedra, edges with two equivalent O(7)Na2Fe4 octahedra, and edges with two equivalent O(4)Na3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second O site, O(2) is bonded to one Na(2), one Fe(1), one Fe(4), one Fe(5), one Fe(6), and one Fe(9) atom to form ONaFe5 octahedra that share corners with three equivalent O(1)Na2Fe4 octahedra, corners with three equivalent O(9)NaFe5 octahedra,  an edgeedge with one O(1)Na2Fe4 octahedra,  an edgeedge with one O(11)Na2Fe4 octahedra,  an edgeedge with one O(6)Na2Fe4 octahedra,  an edgeedge with one O(7)Na2Fe4 octahedra,  an edgeedge with one O(4)Na3Fe3 octahedra,  an edgeedge with one O(9)NaFe5 octahedra, edges with two equivalent O(5)Na2Fe4 octahedra, edges with two equivalent O(8)Na2Fe4 octahedra, and edges with two equivalent O(2)NaFe5 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the third O site, O(3) is bonded to two equivalent Na(1), one Fe(2), one Fe(7), and two equivalent Fe(3) atoms to form ONa2Fe4 octahedra that share corners with three equivalent O(11)Na2Fe4 octahedra, corners with three equivalent O(7)Na2Fe4 octahedra,  an edgeedge with one O(6)Na2Fe4 octahedra,  an edgeedge with one O(4)Na3Fe3 octahedra, edges with two equivalent O(1)Na2Fe4 octahedra, edges with two equivalent O(12)Na3Fe3 octahedra, edges with two equivalent O(9)NaFe5 octahedra, and edges with four equivalent O(10)Na2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the fourth O site, O(4) is bonded to one Na(3), two equivalent Na(1), one Fe(1), and two equivalent Fe(4) atoms to form ONa3Fe3 octahedra that share corners with three equivalent O(8)Na2Fe4 octahedra, corners with three equivalent O(12)Na3Fe3 octahedra,  an edgeedge with one O(3)Na2Fe4 octahedra,  an edgeedge with one O(5)Na2Fe4 octahedra, edges with two equivalent O(10)Na2Fe4 octahedra, edges with two equivalent O(7)Na2Fe4 octahedra, edges with two equivalent O(2)NaFe5 octahedra, and edges with four equivalent O(1)Na2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fifth O site, O(5) is bonded to two equivalent Na(2), one Fe(5), one Fe(6), and two equivalent Fe(4) atoms to form ONa2Fe4 octahedra that share corners with three equivalent O(11)Na2Fe4 octahedra, corners with three equivalent O(7)Na2Fe4 octahedra,  an edgeedge with one O(6)Na2Fe4 octahedra,  an edgeedge with one O(4)Na3Fe3 octahedra, edges with two equivalent O(1)Na2Fe4 octahedra, edges with two equivalent O(8)Na2Fe4 octahedra, edges with two equivalent O(9)NaFe5 octahedra, and edges with four equivalent O(2)NaFe5 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixth O site, O(6) is bonded to two equivalent Na(2), one Fe(8), one Fe(9), and two equivalent Fe(3) atoms to form ONa2Fe4 octahedra that share corners with three equivalent O(8)Na2Fe4 octahedra, corners with three equivalent O(12)Na3Fe3 octahedra,  an edgeedge with one O(3)Na2Fe4 octahedra,  an edgeedge with one O(5)Na2Fe4 octahedra, edges with two equivalent O(10)Na2Fe4 octahedra, edges with two equivalent O(11)Na2Fe4 octahedra, edges with two equivalent O(2)NaFe5 octahedra, and edges with four equivalent O(9)NaFe5 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the seventh O site, O(7) is bonded to two equivalent Na(1), one Fe(2), one Fe(6), and two equivalent Fe(4) atoms to form ONa2Fe4 octahedra that share corners with three equivalent O(3)Na2Fe4 octahedra, corners with three equivalent O(5)Na2Fe4 octahedra,  an edgeedge with one O(8)Na2Fe4 octahedra,  an edgeedge with one O(12)Na3Fe3 octahedra, edges with two equivalent O(10)Na2Fe4 octahedra, edges with two equivalent O(4)Na3Fe3 octahedra, edges with two equivalent O(2)NaFe5 octahedra, and edges with four equivalent O(1)Na2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the eighth O site, O(8) is bonded to two equivalent Na(2), one Fe(1), one Fe(9), and two equivalent Fe(4) atoms to form ONa2Fe4 octahedra that share corners with three equivalent O(6)Na2Fe4 octahedra, corners with three equivalent O(4)Na3Fe3 octahedra,  an edgeedge with one O(11)Na2Fe4 octahedra,  an edgeedge with one O(7)Na2Fe4 octahedra, edges with two equivalent O(1)Na2Fe4 octahedra, edges with two equivalent O(5)Na2Fe4 octahedra, edges with two equivalent O(9)NaFe5 octahedra, and edges with four equivalent O(2)NaFe5 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the ninth O site, O(9) is bonded to one Na(2), one Fe(3), one Fe(5), one Fe(7), one Fe(8), and one Fe(9) atom to form ONaFe5 octahedra that share corners with three equivalent O(10)Na2Fe4 octahedra, corners with three equivalent O(2)NaFe5 octahedra,  an edgeedge with one O(10)Na2Fe4 octahedra,  an edgeedge with one O(3)Na2Fe4 octahedra,  an edgeedge with one O(5)Na2Fe4 octahedra,  an edgeedge with one O(8)Na2Fe4 octahedra,  an edgeedge with one O(12)Na3Fe3 octahedra,  an edgeedge with one O(2)NaFe5 octahedra, edges with two equivalent O(11)Na2Fe4 octahedra, edges with two equivalent O(6)Na2Fe4 octahedra, and edges with two equivalent O(9)NaFe5 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the tenth O site, O(10) is bonded to one Na(1), one Na(3), one Fe(2), one Fe(3), one Fe(7), and one Fe(8) atom to form ONa2Fe4 octahedra that share corners with three equivalent O(1)Na2Fe4 octahedra, corners with three equivalent O(9)NaFe5 octahedra,  an edgeedge with one O(1)Na2Fe4 octahedra,  an edgeedge with one O(11)Na2Fe4 octahedra,  an edgeedge with one O(6)Na2Fe4 octahedra,  an edgeedge with one O(7)Na2Fe4 octahedra,  an edgeedge with one O(4)Na3Fe3 octahedra,  an edgeedge with one O(9)NaFe5 octahedra, edges with two equivalent O(10)Na2Fe4 octahedra, edges with two equivalent O(3)Na2Fe4 octahedra, and edges with two equivalent O(12)Na3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the eleventh O site, O(11) is bonded to two equivalent Na(2), one Fe(5), one Fe(7), and two equivalent Fe(3) atoms to form ONa2Fe4 octahedra that share corners with three equivalent O(3)Na2Fe4 octahedra, corners with three equivalent O(5)Na2Fe4 octahedra,  an edgeedge with one O(8)Na2Fe4 octahedra,  an edgeedge with one O(12)Na3Fe3 octahedra, edges with two equivalent O(10)Na2Fe4 octahedra, edges with two equivalent O(6)Na2Fe4 octahedra, edges with two equivalent O(2)NaFe5 octahedra, and edges with four equivalent O(9)NaFe5 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the twelfth O site, O(12) is bonded to one Na(3), two equivalent Na(1), one Fe(8), and two equivalent Fe(3) atoms to form ONa3Fe3 octahedra that share corners with three equivalent O(6)Na2Fe4 octahedra, corners with three equivalent O(4)Na3Fe3 octahedra,  an edgeedge with one O(11)Na2Fe4 octahedra,  an edgeedge with one O(7)Na2Fe4 octahedra, edges with two equivalent O(1)Na2Fe4 octahedra, edges with two equivalent O(3)Na2Fe4 octahedra, edges with two equivalent O(9)NaFe5 octahedra, and edges with four equivalent O(10)Na2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. is represented by the CIF card [CIF]
data_Na5Fe11O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.202
_cell_length_b   6.202
_cell_length_c   10.956
_cell_angle_alpha   74.238
_cell_angle_beta   74.238
_cell_angle_gamma   59.933
_symmetry_Int_Tables_number   1
_cell_volume   346.348
_cell_formula_units_Z   1
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  0.812  0.315  0.060  1.0
  Na  Na1  1  0.315  0.812  0.060  1.0
  Na  Na2  1  0.812  0.314  0.566  1.0
  Na  Na3  1  0.812  0.812  0.064  1.0
  Na  Na4  1  0.314  0.812  0.566  1.0
  Fe  Fe5  1  0.064  0.064  0.315  1.0
  Fe  Fe6  1  0.316  0.316  0.058  1.0
  Fe  Fe7  1  0.565  0.059  0.814  1.0
  Fe  Fe8  1  0.063  0.566  0.314  1.0
  Fe  Fe9  1  0.566  0.063  0.314  1.0
  Fe  Fe10  1  0.812  0.812  0.567  1.0
  Fe  Fe11  1  0.565  0.565  0.313  1.0
  Fe  Fe12  1  0.061  0.061  0.815  1.0
  Fe  Fe13  1  0.563  0.563  0.810  1.0
  Fe  Fe14  1  0.314  0.314  0.567  1.0
  Fe  Fe15  1  0.059  0.565  0.814  1.0
  O  O16  1  0.957  0.417  0.208  1.0
  O  O17  1  0.698  0.168  0.431  1.0
  O  O18  1  0.198  0.198  0.920  1.0
  O  O19  1  0.933  0.933  0.213  1.0
  O  O20  1  0.702  0.702  0.418  1.0
  O  O21  1  0.422  0.422  0.700  1.0
  O  O22  1  0.427  0.427  0.209  1.0
  O  O23  1  0.203  0.203  0.425  1.0
  O  O24  1  0.446  0.952  0.692  1.0
  O  O25  1  0.417  0.957  0.208  1.0
  O  O26  1  0.952  0.446  0.692  1.0
  O  O27  1  0.669  0.191  0.925  1.0
  O  O28  1  0.191  0.669  0.925  1.0
  O  O29  1  0.168  0.698  0.431  1.0
  O  O30  1  0.927  0.927  0.706  1.0
  O  O31  1  0.698  0.698  0.914  1.0
[/CIF]
.