The material structure described by Fe5O7 crystallizes in the monoclinic C2/m space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form FeO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with four equivalent Fe(2)O7 pentagonal bipyramids, edges with two equivalent Fe(1)O6 octahedra, and edges with six equivalent Fe(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 56°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and three equivalent O(3) atoms to form distorted FeO7 pentagonal bipyramids that share corners with two equivalent Fe(1)O6 octahedra, corners with six equivalent Fe(3)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O7 pentagonal bipyramids, and faces with two equivalent Fe(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 19-68°. In the third Fe site, Fe(3) is bonded to one O(1), two equivalent O(4), and three equivalent O(2) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with six equivalent Fe(2)O7 pentagonal bipyramids, edges with five equivalent Fe(3)O6 octahedra, and  an edgeedge with one Fe(2)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 0-56°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Fe(1), one Fe(3), and two equivalent Fe(2) atoms to form distorted OFe4 tetrahedra that share corners with four equivalent O(3)Fe5 square pyramids, corners with three equivalent O(1)Fe4 tetrahedra, corners with five equivalent O(2)Fe5 trigonal bipyramids, edges with three equivalent O(3)Fe5 square pyramids, and  an edgeedge with one O(2)Fe5 trigonal bipyramid. In the second O site, O(2) is bonded to two equivalent Fe(2) and three equivalent Fe(3) atoms to form distorted OFe5 trigonal bipyramids that share corners with four equivalent O(3)Fe5 square pyramids, corners with five equivalent O(1)Fe4 tetrahedra,  an edgeedge with one O(3)Fe5 square pyramid,  an edgeedge with one O(1)Fe4 tetrahedra, and edges with four equivalent O(2)Fe5 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Fe(1) and three equivalent Fe(2) atoms to form OFe5 square pyramids that share corners with two equivalent O(3)Fe5 square pyramids, corners with four equivalent O(1)Fe4 tetrahedra, corners with four equivalent O(2)Fe5 trigonal bipyramids, edges with five equivalent O(3)Fe5 square pyramids, edges with three equivalent O(1)Fe4 tetrahedra, and  an edgeedge with one O(2)Fe5 trigonal bipyramid. In the fourth O site, O(4) is bonded in a square co-planar geometry to four equivalent Fe(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe5O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.087
_cell_length_b   5.087
_cell_length_c   8.883
_cell_angle_alpha   75.396
_cell_angle_beta   75.396
_cell_angle_gamma   33.289
_symmetry_Int_Tables_number   1
_cell_volume   121.726
_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
  Fe  Fe0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.305  0.305  0.816  1.0
  Fe  Fe2  1  0.695  0.695  0.184  1.0
  Fe  Fe3  1  0.111  0.111  0.585  1.0
  Fe  Fe4  1  0.889  0.889  0.415  1.0
  O  O5  1  0.039  0.039  0.214  1.0
  O  O6  1  0.961  0.961  0.786  1.0
  O  O7  1  0.263  0.263  0.364  1.0
  O  O8  1  0.737  0.737  0.636  1.0
  O  O9  1  0.347  0.347  0.052  1.0
  O  O10  1  0.653  0.653  0.948  1.0
  O  O11  1  0.500  0.500  0.500  1.0
[/CIF]
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The material structure described by Fe5O7 crystallizes in the monoclinic C2/m space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form FeO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with four equivalent Fe(2)O7 pentagonal bipyramids, edges with two equivalent Fe(1)O6 octahedra, and edges with six equivalent Fe(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 56°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and three equivalent O(3) atoms to form distorted FeO7 pentagonal bipyramids that share corners with two equivalent Fe(1)O6 octahedra, corners with six equivalent Fe(3)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O7 pentagonal bipyramids, and faces with two equivalent Fe(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 19-68°. In the third Fe site, Fe(3) is bonded to one O(1), two equivalent O(4), and three equivalent O(2) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with six equivalent Fe(2)O7 pentagonal bipyramids, edges with five equivalent Fe(3)O6 octahedra, and  an edgeedge with one Fe(2)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 0-56°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Fe(1), one Fe(3), and two equivalent Fe(2) atoms to form distorted OFe4 tetrahedra that share corners with four equivalent O(3)Fe5 square pyramids, corners with three equivalent O(1)Fe4 tetrahedra, corners with five equivalent O(2)Fe5 trigonal bipyramids, edges with three equivalent O(3)Fe5 square pyramids, and  an edgeedge with one O(2)Fe5 trigonal bipyramid. In the second O site, O(2) is bonded to two equivalent Fe(2) and three equivalent Fe(3) atoms to form distorted OFe5 trigonal bipyramids that share corners with four equivalent O(3)Fe5 square pyramids, corners with five equivalent O(1)Fe4 tetrahedra,  an edgeedge with one O(3)Fe5 square pyramid,  an edgeedge with one O(1)Fe4 tetrahedra, and edges with four equivalent O(2)Fe5 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Fe(1) and three equivalent Fe(2) atoms to form OFe5 square pyramids that share corners with two equivalent O(3)Fe5 square pyramids, corners with four equivalent O(1)Fe4 tetrahedra, corners with four equivalent O(2)Fe5 trigonal bipyramids, edges with five equivalent O(3)Fe5 square pyramids, edges with three equivalent O(1)Fe4 tetrahedra, and  an edgeedge with one O(2)Fe5 trigonal bipyramid. In the fourth O site, O(4) is bonded in a square co-planar geometry to four equivalent Fe(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe5O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.087
_cell_length_b   5.087
_cell_length_c   8.883
_cell_angle_alpha   75.396
_cell_angle_beta   75.396
_cell_angle_gamma   33.289
_symmetry_Int_Tables_number   1
_cell_volume   121.726
_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
  Fe  Fe0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.305  0.305  0.816  1.0
  Fe  Fe2  1  0.695  0.695  0.184  1.0
  Fe  Fe3  1  0.111  0.111  0.585  1.0
  Fe  Fe4  1  0.889  0.889  0.415  1.0
  O  O5  1  0.039  0.039  0.214  1.0
  O  O6  1  0.961  0.961  0.786  1.0
  O  O7  1  0.263  0.263  0.364  1.0
  O  O8  1  0.737  0.737  0.636  1.0
  O  O9  1  0.347  0.347  0.052  1.0
  O  O10  1  0.653  0.653  0.948  1.0
  O  O11  1  0.500  0.500  0.500  1.0
[/CIF]
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