The material structure described by Sr2FeCoO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to two equivalent O(1), two equivalent O(2), four equivalent O(3), and four equivalent O(4) 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 two equivalent Fe(1)O6 octahedra, faces with two equivalent Fe(2)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, and faces with two equivalent Co(2)O6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Co(2)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. In the second Fe site, Fe(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form FeO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form CoO6 octahedra that share corners with two equivalent Fe(2)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. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Sr(1), one Fe(1), and one Co(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1), one Fe(2), and one Co(1) atom. In the third O site, O(3) is bonded to four equivalent Sr(1), one Fe(2), and one Co(2) atom to form a mixture of distorted edge, corner, and face-sharing OSr4FeCo octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the fourth O site, O(4) is bonded to four equivalent Sr(1), one Fe(1), and one Co(1) atom to form a mixture of distorted edge, corner, and face-sharing OSr4FeCo octahedra. The corner-sharing octahedral tilt angles range from 0-61°. is represented by the CIF card [CIF]
data_Sr2FeCoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.505
_cell_length_b   5.507
_cell_length_c   5.507
_cell_angle_alpha   89.297
_cell_angle_beta   60.398
_cell_angle_gamma   119.604
_symmetry_Int_Tables_number   1
_cell_volume   118.757
_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
  Co  Co0  1  1.000  0.500  0.500  1.0
  Fe  Fe1  1  0.000  1.000  0.000  1.0
  O  O2  1  0.000  0.741  0.259  1.0
  O  O3  1  0.502  0.751  0.249  1.0
  O  O4  1  1.000  0.751  0.751  1.0
  O  O5  1  1.000  0.259  0.741  1.0
  O  O6  1  0.498  0.249  0.751  1.0
  O  O7  1  0.000  0.249  0.249  1.0
  Sr  Sr8  1  0.500  0.250  0.250  1.0
  Sr  Sr9  1  0.500  0.750  0.750  1.0
[/CIF]
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The material structure described by Sr2FeCoO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to two equivalent O(1), two equivalent O(2), four equivalent O(3), and four equivalent O(4) 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 two equivalent Fe(1)O6 octahedra, faces with two equivalent Fe(2)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, and faces with two equivalent Co(2)O6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Co(2)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. In the second Fe site, Fe(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form FeO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form CoO6 octahedra that share corners with two equivalent Fe(2)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. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Sr(1), one Fe(1), and one Co(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1), one Fe(2), and one Co(1) atom. In the third O site, O(3) is bonded to four equivalent Sr(1), one Fe(2), and one Co(2) atom to form a mixture of distorted edge, corner, and face-sharing OSr4FeCo octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the fourth O site, O(4) is bonded to four equivalent Sr(1), one Fe(1), and one Co(1) atom to form a mixture of distorted edge, corner, and face-sharing OSr4FeCo octahedra. The corner-sharing octahedral tilt angles range from 0-61°. is represented by the CIF card [CIF]
data_Sr2FeCoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.505
_cell_length_b   5.507
_cell_length_c   5.507
_cell_angle_alpha   89.297
_cell_angle_beta   60.398
_cell_angle_gamma   119.604
_symmetry_Int_Tables_number   1
_cell_volume   118.757
_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
  Co  Co0  1  1.000  0.500  0.500  1.0
  Fe  Fe1  1  0.000  1.000  0.000  1.0
  O  O2  1  0.000  0.741  0.259  1.0
  O  O3  1  0.502  0.751  0.249  1.0
  O  O4  1  1.000  0.751  0.751  1.0
  O  O5  1  1.000  0.259  0.741  1.0
  O  O6  1  0.498  0.249  0.751  1.0
  O  O7  1  0.000  0.249  0.249  1.0
  Sr  Sr8  1  0.500  0.250  0.250  1.0
  Sr  Sr9  1  0.500  0.750  0.750  1.0
[/CIF]
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