The crystal structure described by Sr2YCoO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. Sr(1) is bonded to four equivalent O(1) and eight equivalent O(2) 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 Y(1)O6 octahedra, and faces with four equivalent Co(1)O6 octahedra. Y(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form YO6 octahedra that share corners with six equivalent Co(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(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Y(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Sr(1), one Y(1), and one Co(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1), one Y(1), and one Co(1) atom. is represented by the CIF file [CIF]
data_Sr2YCoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.714
_cell_length_b   5.715
_cell_length_c   5.715
_cell_angle_alpha   119.130
_cell_angle_beta   91.517
_cell_angle_gamma   119.121
_symmetry_Int_Tables_number   1
_cell_volume   133.673
_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  0.000  1.000  0.000  1.0
  O  O1  1  0.224  0.000  0.224  1.0
  O  O2  1  0.776  1.000  0.776  1.0
  O  O3  1  0.767  0.000  0.233  1.0
  O  O4  1  0.233  0.000  0.767  1.0
  O  O5  1  0.233  0.466  0.233  1.0
  O  O6  1  0.767  0.534  0.767  1.0
  Sr  Sr7  1  0.250  0.500  0.750  1.0
  Sr  Sr8  1  0.750  0.500  0.250  1.0
  Y  Y9  1  0.500  1.000  0.500  1.0
[/CIF]
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The crystal structure described by Sr2YCoO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. Sr(1) is bonded to four equivalent O(1) and eight equivalent O(2) 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 Y(1)O6 octahedra, and faces with four equivalent Co(1)O6 octahedra. Y(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form YO6 octahedra that share corners with six equivalent Co(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(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Y(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Sr(1), one Y(1), and one Co(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1), one Y(1), and one Co(1) atom. is represented by the CIF file [CIF]
data_Sr2YCoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.714
_cell_length_b   5.715
_cell_length_c   5.715
_cell_angle_alpha   119.130
_cell_angle_beta   91.517
_cell_angle_gamma   119.121
_symmetry_Int_Tables_number   1
_cell_volume   133.673
_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  0.000  1.000  0.000  1.0
  O  O1  1  0.224  0.000  0.224  1.0
  O  O2  1  0.776  1.000  0.776  1.0
  O  O3  1  0.767  0.000  0.233  1.0
  O  O4  1  0.233  0.000  0.767  1.0
  O  O5  1  0.233  0.466  0.233  1.0
  O  O6  1  0.767  0.534  0.767  1.0
  Sr  Sr7  1  0.250  0.500  0.750  1.0
  Sr  Sr8  1  0.750  0.500  0.250  1.0
  Y  Y9  1  0.500  1.000  0.500  1.0
[/CIF]
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