The material described by Sr2FeCoO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Fe(1)O6 octahedra, and faces with four equivalent Co(1)O6 octahedra. 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 Co(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Co(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Co(1) atoms to form distorted OSr4Co2 octahedra that share corners with two equivalent O(2)Sr4Co2 octahedra, corners with eight equivalent O(3)Sr4FeCo octahedra, edges with two equivalent O(2)Sr4Co2 octahedra, faces with four equivalent O(2)Sr4Co2 octahedra, and faces with four equivalent O(3)Sr4FeCo octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the third O site, O(3) is bonded to four equivalent Sr(1), one Fe(1), and one Co(1) atom to form distorted OSr4FeCo octahedra that share corners with six equivalent O(3)Sr4FeCo octahedra, corners with eight equivalent O(2)Sr4Co2 octahedra, edges with four equivalent O(3)Sr4FeCo octahedra, and faces with four equivalent O(2)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2FeCoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.865
_cell_length_b   3.865
_cell_length_c   7.872
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   117.570
_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  0.500  0.500  0.747  1.0
  Sr  Sr1  1  0.500  0.500  0.253  1.0
  Fe  Fe2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.000  0.000  0.500  1.0
  O  O4  1  0.500  0.000  0.000  1.0
  O  O5  1  0.500  0.000  0.500  1.0
  O  O6  1  0.000  0.500  0.000  1.0
  O  O7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.000  0.000  0.751  1.0
  O  O9  1  0.000  0.000  0.249  1.0
[/CIF]
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The material described by Sr2FeCoO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Fe(1)O6 octahedra, and faces with four equivalent Co(1)O6 octahedra. 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 Co(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Co(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Co(1) atoms to form distorted OSr4Co2 octahedra that share corners with two equivalent O(2)Sr4Co2 octahedra, corners with eight equivalent O(3)Sr4FeCo octahedra, edges with two equivalent O(2)Sr4Co2 octahedra, faces with four equivalent O(2)Sr4Co2 octahedra, and faces with four equivalent O(3)Sr4FeCo octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the third O site, O(3) is bonded to four equivalent Sr(1), one Fe(1), and one Co(1) atom to form distorted OSr4FeCo octahedra that share corners with six equivalent O(3)Sr4FeCo octahedra, corners with eight equivalent O(2)Sr4Co2 octahedra, edges with four equivalent O(3)Sr4FeCo octahedra, and faces with four equivalent O(2)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2FeCoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.865
_cell_length_b   3.865
_cell_length_c   7.872
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   117.570
_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  0.500  0.500  0.747  1.0
  Sr  Sr1  1  0.500  0.500  0.253  1.0
  Fe  Fe2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.000  0.000  0.500  1.0
  O  O4  1  0.500  0.000  0.000  1.0
  O  O5  1  0.500  0.000  0.500  1.0
  O  O6  1  0.000  0.500  0.000  1.0
  O  O7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.000  0.000  0.751  1.0
  O  O9  1  0.000  0.000  0.249  1.0
[/CIF]
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