The material described by Sr4Fe4O11 crystallizes in the orthorhombic Pnnm space group. Sr(1) is bonded in a distorted q6 geometry to one O(2), one O(3), one O(5), two equivalent O(4), two equivalent O(6), and four equivalent O(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent Fe(2)O5 square pyramids. The corner-sharing octahedra are not tilted. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), one O(6), and two equivalent O(1) atoms to form FeO5 square pyramids that share corners with four equivalent Fe(1)O6 octahedra and  a cornercorner with one Fe(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 2-14°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Fe(2) atoms to form a mixture of distorted corner and edge-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 11-60°. In the third O site, O(3) is bonded to four equivalent Sr(1) and two equivalent Fe(1) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles are 4°. In the fourth O site, O(4) is bonded to four equivalent Sr(1), one Fe(1), and one Fe(2) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 4-60°. In the fifth O site, O(5) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Fe(1) atoms. In the sixth O site, O(6) is bonded in a distorted linear geometry to four equivalent Sr(1), one Fe(1), and one Fe(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr4Fe4O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.594
_cell_length_b   7.860
_cell_length_c   11.136
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   489.609
_cell_formula_units_Z   2
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  0.258  0.242  0.628  1.0
  Sr  Sr1  1  0.742  0.758  0.372  1.0
  Sr  Sr2  1  0.742  0.242  0.372  1.0
  Sr  Sr3  1  0.242  0.258  0.128  1.0
  Sr  Sr4  1  0.242  0.742  0.128  1.0
  Sr  Sr5  1  0.758  0.742  0.872  1.0
  Sr  Sr6  1  0.758  0.258  0.872  1.0
  Sr  Sr7  1  0.258  0.758  0.628  1.0
  Fe  Fe8  1  0.752  0.000  0.622  1.0
  Fe  Fe9  1  0.730  0.500  0.633  1.0
  Fe  Fe10  1  0.248  0.000  0.378  1.0
  Fe  Fe11  1  0.270  0.500  0.367  1.0
  Fe  Fe12  1  0.748  0.500  0.122  1.0
  Fe  Fe13  1  0.770  0.000  0.133  1.0
  Fe  Fe14  1  0.230  0.000  0.867  1.0
  Fe  Fe15  1  0.252  0.500  0.878  1.0
  O  O16  1  0.770  0.738  0.613  1.0
  O  O17  1  0.500  0.500  0.500  1.0
  O  O18  1  0.230  0.738  0.387  1.0
  O  O19  1  0.500  0.000  0.500  1.0
  O  O20  1  0.488  0.000  0.243  1.0
  O  O21  1  0.000  0.000  0.500  1.0
  O  O22  1  0.001  0.000  0.255  1.0
  O  O23  1  0.230  0.262  0.387  1.0
  O  O24  1  0.730  0.238  0.113  1.0
  O  O25  1  0.988  0.500  0.257  1.0
  O  O26  1  0.501  0.500  0.245  1.0
  O  O27  1  0.000  0.500  0.000  1.0
  O  O28  1  0.500  0.500  0.000  1.0
  O  O29  1  0.730  0.762  0.113  1.0
  O  O30  1  0.270  0.762  0.887  1.0
  O  O31  1  0.512  0.000  0.757  1.0
  O  O32  1  0.000  0.000  0.000  1.0
  O  O33  1  0.999  0.000  0.745  1.0
  O  O34  1  0.270  0.238  0.887  1.0
  O  O35  1  0.012  0.500  0.743  1.0
  O  O36  1  0.770  0.262  0.613  1.0
  O  O37  1  0.499  0.500  0.755  1.0
[/CIF]
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The material described by Sr4Fe4O11 crystallizes in the orthorhombic Pnnm space group. Sr(1) is bonded in a distorted q6 geometry to one O(2), one O(3), one O(5), two equivalent O(4), two equivalent O(6), and four equivalent O(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent Fe(2)O5 square pyramids. The corner-sharing octahedra are not tilted. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), one O(6), and two equivalent O(1) atoms to form FeO5 square pyramids that share corners with four equivalent Fe(1)O6 octahedra and  a cornercorner with one Fe(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 2-14°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Fe(2) atoms to form a mixture of distorted corner and edge-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 11-60°. In the third O site, O(3) is bonded to four equivalent Sr(1) and two equivalent Fe(1) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles are 4°. In the fourth O site, O(4) is bonded to four equivalent Sr(1), one Fe(1), and one Fe(2) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 4-60°. In the fifth O site, O(5) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Fe(1) atoms. In the sixth O site, O(6) is bonded in a distorted linear geometry to four equivalent Sr(1), one Fe(1), and one Fe(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr4Fe4O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.594
_cell_length_b   7.860
_cell_length_c   11.136
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   489.609
_cell_formula_units_Z   2
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  0.258  0.242  0.628  1.0
  Sr  Sr1  1  0.742  0.758  0.372  1.0
  Sr  Sr2  1  0.742  0.242  0.372  1.0
  Sr  Sr3  1  0.242  0.258  0.128  1.0
  Sr  Sr4  1  0.242  0.742  0.128  1.0
  Sr  Sr5  1  0.758  0.742  0.872  1.0
  Sr  Sr6  1  0.758  0.258  0.872  1.0
  Sr  Sr7  1  0.258  0.758  0.628  1.0
  Fe  Fe8  1  0.752  0.000  0.622  1.0
  Fe  Fe9  1  0.730  0.500  0.633  1.0
  Fe  Fe10  1  0.248  0.000  0.378  1.0
  Fe  Fe11  1  0.270  0.500  0.367  1.0
  Fe  Fe12  1  0.748  0.500  0.122  1.0
  Fe  Fe13  1  0.770  0.000  0.133  1.0
  Fe  Fe14  1  0.230  0.000  0.867  1.0
  Fe  Fe15  1  0.252  0.500  0.878  1.0
  O  O16  1  0.770  0.738  0.613  1.0
  O  O17  1  0.500  0.500  0.500  1.0
  O  O18  1  0.230  0.738  0.387  1.0
  O  O19  1  0.500  0.000  0.500  1.0
  O  O20  1  0.488  0.000  0.243  1.0
  O  O21  1  0.000  0.000  0.500  1.0
  O  O22  1  0.001  0.000  0.255  1.0
  O  O23  1  0.230  0.262  0.387  1.0
  O  O24  1  0.730  0.238  0.113  1.0
  O  O25  1  0.988  0.500  0.257  1.0
  O  O26  1  0.501  0.500  0.245  1.0
  O  O27  1  0.000  0.500  0.000  1.0
  O  O28  1  0.500  0.500  0.000  1.0
  O  O29  1  0.730  0.762  0.113  1.0
  O  O30  1  0.270  0.762  0.887  1.0
  O  O31  1  0.512  0.000  0.757  1.0
  O  O32  1  0.000  0.000  0.000  1.0
  O  O33  1  0.999  0.000  0.745  1.0
  O  O34  1  0.270  0.238  0.887  1.0
  O  O35  1  0.012  0.500  0.743  1.0
  O  O36  1  0.770  0.262  0.613  1.0
  O  O37  1  0.499  0.500  0.755  1.0
[/CIF]
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