The crystal structure described by Sr3Fe2O6 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to four equivalent O(2) and five equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a body-centered cubic geometry to eight equivalent O(2) atoms. Fe(1) is bonded to one O(1) and four equivalent O(2) atoms to form corner-sharing FeO5 square pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to five equivalent Sr(1) and one Fe(1) atom to form distorted OSr5Fe octahedra that share corners with four equivalent O(1)Sr5Fe octahedra, corners with twelve equivalent O(2)Sr4Fe2 octahedra, edges with eight equivalent O(1)Sr5Fe octahedra, and faces with four equivalent O(2)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 13-54°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Fe(1) atoms to form distorted OSr4Fe2 octahedra that share corners with six equivalent O(1)Sr5Fe octahedra, corners with eight equivalent O(2)Sr4Fe2 octahedra, edges with three equivalent O(2)Sr4Fe2 octahedra, faces with two equivalent O(1)Sr5Fe octahedra, and faces with four equivalent O(2)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-64°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.892
_cell_length_b   3.892
_cell_length_c   10.374
_cell_angle_alpha   100.814
_cell_angle_beta   100.814
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   151.493
_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  0.680  0.680  0.360  1.0
  Sr  Sr1  1  0.320  0.320  0.640  1.0
  Sr  Sr2  1  0.500  0.500  0.000  1.0
  Fe  Fe3  1  0.899  0.899  0.798  1.0
  Fe  Fe4  1  0.101  0.101  0.202  1.0
  O  O5  1  0.804  0.804  0.608  1.0
  O  O6  1  0.196  0.196  0.392  1.0
  O  O7  1  0.915  0.415  0.830  1.0
  O  O8  1  0.415  0.915  0.830  1.0
  O  O9  1  0.085  0.585  0.170  1.0
  O  O10  1  0.585  0.085  0.170  1.0
[/CIF]
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The crystal structure described by Sr3Fe2O6 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to four equivalent O(2) and five equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a body-centered cubic geometry to eight equivalent O(2) atoms. Fe(1) is bonded to one O(1) and four equivalent O(2) atoms to form corner-sharing FeO5 square pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to five equivalent Sr(1) and one Fe(1) atom to form distorted OSr5Fe octahedra that share corners with four equivalent O(1)Sr5Fe octahedra, corners with twelve equivalent O(2)Sr4Fe2 octahedra, edges with eight equivalent O(1)Sr5Fe octahedra, and faces with four equivalent O(2)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 13-54°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Fe(1) atoms to form distorted OSr4Fe2 octahedra that share corners with six equivalent O(1)Sr5Fe octahedra, corners with eight equivalent O(2)Sr4Fe2 octahedra, edges with three equivalent O(2)Sr4Fe2 octahedra, faces with two equivalent O(1)Sr5Fe octahedra, and faces with four equivalent O(2)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-64°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.892
_cell_length_b   3.892
_cell_length_c   10.374
_cell_angle_alpha   100.814
_cell_angle_beta   100.814
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   151.493
_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  0.680  0.680  0.360  1.0
  Sr  Sr1  1  0.320  0.320  0.640  1.0
  Sr  Sr2  1  0.500  0.500  0.000  1.0
  Fe  Fe3  1  0.899  0.899  0.798  1.0
  Fe  Fe4  1  0.101  0.101  0.202  1.0
  O  O5  1  0.804  0.804  0.608  1.0
  O  O6  1  0.196  0.196  0.392  1.0
  O  O7  1  0.915  0.415  0.830  1.0
  O  O8  1  0.415  0.915  0.830  1.0
  O  O9  1  0.085  0.585  0.170  1.0
  O  O10  1  0.585  0.085  0.170  1.0
[/CIF]
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