The compound described by Sr2Co2O5 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded in a distorted q6 geometry to two equivalent O(2) and eight equivalent O(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedra are not tilted. In the second Co site, Co(2) is bonded in a square co-planar geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Co(1), and one Co(2) atom to form a mixture of distorted edge, face, and corner-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_Sr2Co2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.600
_cell_length_b   5.600
_cell_length_c   3.709
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   116.318
_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  0.000  0.000  1.0
  Sr  Sr1  1  0.000  0.500  0.000  1.0
  Co  Co2  1  0.000  0.000  0.500  1.0
  Co  Co3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.729  0.271  0.500  1.0
  O  O5  1  0.271  0.729  0.500  1.0
  O  O6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.729  0.729  0.500  1.0
  O  O8  1  0.271  0.271  0.500  1.0
[/CIF]
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The compound described by Sr2Co2O5 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded in a distorted q6 geometry to two equivalent O(2) and eight equivalent O(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedra are not tilted. In the second Co site, Co(2) is bonded in a square co-planar geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Co(1), and one Co(2) atom to form a mixture of distorted edge, face, and corner-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_Sr2Co2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.600
_cell_length_b   5.600
_cell_length_c   3.709
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   116.318
_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  0.000  0.000  1.0
  Sr  Sr1  1  0.000  0.500  0.000  1.0
  Co  Co2  1  0.000  0.000  0.500  1.0
  Co  Co3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.729  0.271  0.500  1.0
  O  O5  1  0.271  0.729  0.500  1.0
  O  O6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.729  0.729  0.500  1.0
  O  O8  1  0.271  0.271  0.500  1.0
[/CIF]
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