The crystal structure described by Sr4Fe4O11 crystallizes in the orthorhombic Cmmm space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted q6 geometry to one O(2), two equivalent O(3), and eight equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to two equivalent O(3) and eight equivalent O(1) atoms. In the third Sr site, Sr(3) is bonded to two equivalent O(2), two equivalent O(3), and eight equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Fe(1)O6 octahedra, and faces with four equivalent Fe(2)O5 square pyramids. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O5 square pyramids, and faces with two equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 13°. In the second Fe site, Fe(2) is bonded to one O(2) and four equivalent O(1) atoms to form FeO5 square pyramids that share corners with four equivalent Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O5 square pyramid, and faces with two equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 12°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Fe(2) atoms to form distorted corner-sharing OSr4Fe2 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), and two equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_Sr4Fe4O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.688
_cell_length_b   6.688
_cell_length_c   5.463
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   110.066
_symmetry_Int_Tables_number   1
_cell_volume   229.540
_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
  Sr  Sr0  1  0.260  0.740  0.000  1.0
  Sr  Sr1  1  0.740  0.260  0.000  1.0
  Sr  Sr2  1  0.000  0.000  0.500  1.0
  Sr  Sr3  1  0.500  0.500  0.500  1.0
  Fe  Fe4  1  0.000  0.500  0.500  1.0
  Fe  Fe5  1  0.500  0.000  0.500  1.0
  Fe  Fe6  1  0.749  0.749  0.000  1.0
  Fe  Fe7  1  0.251  0.251  0.000  1.0
  O  O8  1  0.105  0.345  0.239  1.0
  O  O9  1  0.895  0.655  0.239  1.0
  O  O10  1  0.345  0.105  0.761  1.0
  O  O11  1  0.655  0.895  0.761  1.0
  O  O12  1  0.895  0.655  0.761  1.0
  O  O13  1  0.105  0.345  0.761  1.0
  O  O14  1  0.655  0.895  0.239  1.0
  O  O15  1  0.345  0.105  0.239  1.0
  O  O16  1  0.500  0.500  0.000  1.0
  O  O17  1  0.731  0.269  0.500  1.0
  O  O18  1  0.269  0.731  0.500  1.0
[/CIF]
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The crystal structure described by Sr4Fe4O11 crystallizes in the orthorhombic Cmmm space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted q6 geometry to one O(2), two equivalent O(3), and eight equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to two equivalent O(3) and eight equivalent O(1) atoms. In the third Sr site, Sr(3) is bonded to two equivalent O(2), two equivalent O(3), and eight equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Fe(1)O6 octahedra, and faces with four equivalent Fe(2)O5 square pyramids. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O5 square pyramids, and faces with two equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 13°. In the second Fe site, Fe(2) is bonded to one O(2) and four equivalent O(1) atoms to form FeO5 square pyramids that share corners with four equivalent Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O5 square pyramid, and faces with two equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 12°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Fe(2) atoms to form distorted corner-sharing OSr4Fe2 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), and two equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_Sr4Fe4O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.688
_cell_length_b   6.688
_cell_length_c   5.463
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   110.066
_symmetry_Int_Tables_number   1
_cell_volume   229.540
_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
  Sr  Sr0  1  0.260  0.740  0.000  1.0
  Sr  Sr1  1  0.740  0.260  0.000  1.0
  Sr  Sr2  1  0.000  0.000  0.500  1.0
  Sr  Sr3  1  0.500  0.500  0.500  1.0
  Fe  Fe4  1  0.000  0.500  0.500  1.0
  Fe  Fe5  1  0.500  0.000  0.500  1.0
  Fe  Fe6  1  0.749  0.749  0.000  1.0
  Fe  Fe7  1  0.251  0.251  0.000  1.0
  O  O8  1  0.105  0.345  0.239  1.0
  O  O9  1  0.895  0.655  0.239  1.0
  O  O10  1  0.345  0.105  0.761  1.0
  O  O11  1  0.655  0.895  0.761  1.0
  O  O12  1  0.895  0.655  0.761  1.0
  O  O13  1  0.105  0.345  0.761  1.0
  O  O14  1  0.655  0.895  0.239  1.0
  O  O15  1  0.345  0.105  0.239  1.0
  O  O16  1  0.500  0.500  0.000  1.0
  O  O17  1  0.731  0.269  0.500  1.0
  O  O18  1  0.269  0.731  0.500  1.0
[/CIF]
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