The material structure described by Sr6Co5O15 crystallizes in the trigonal R32 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form face-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form face-sharing CoO6 octahedra. In the third Co site, Co(3) is bonded to six equivalent O(1) atoms to form distorted face-sharing CoO6 pentagonal pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Co(1), and one Co(3) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Co(2) atoms to form a mixture of distorted face and corner-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles are 26°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr6(CoO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.850
_cell_length_b   6.850
_cell_length_c   6.850
_cell_angle_alpha   87.929
_cell_angle_beta   87.929
_cell_angle_gamma   87.929
_symmetry_Int_Tables_number   1
_cell_volume   320.861
_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  0.860  0.140  1.0
  Sr  Sr1  1  0.140  0.500  0.860  1.0
  Sr  Sr2  1  0.860  0.140  0.500  1.0
  Sr  Sr3  1  0.000  0.678  0.322  1.0
  Sr  Sr4  1  0.322  0.000  0.678  1.0
  Sr  Sr5  1  0.678  0.322  0.000  1.0
  Co  Co6  1  0.706  0.706  0.706  1.0
  Co  Co7  1  0.294  0.294  0.294  1.0
  Co  Co8  1  0.904  0.904  0.904  1.0
  Co  Co9  1  0.096  0.096  0.096  1.0
  Co  Co10  1  0.500  0.500  0.500  1.0
  O  O11  1  0.362  0.554  0.266  1.0
  O  O12  1  0.266  0.362  0.554  1.0
  O  O13  1  0.554  0.266  0.362  1.0
  O  O14  1  0.638  0.734  0.446  1.0
  O  O15  1  0.446  0.638  0.734  1.0
  O  O16  1  0.734  0.446  0.638  1.0
  O  O17  1  0.205  0.030  0.340  1.0
  O  O18  1  0.340  0.205  0.030  1.0
  O  O19  1  0.030  0.340  0.205  1.0
  O  O20  1  0.795  0.660  0.970  1.0
  O  O21  1  0.970  0.795  0.660  1.0
  O  O22  1  0.156  0.844  0.000  1.0
  O  O23  1  0.844  0.000  0.156  1.0
  O  O24  1  0.000  0.156  0.844  1.0
  O  O25  1  0.660  0.970  0.795  1.0
[/CIF]
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The material structure described by Sr6Co5O15 crystallizes in the trigonal R32 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form face-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form face-sharing CoO6 octahedra. In the third Co site, Co(3) is bonded to six equivalent O(1) atoms to form distorted face-sharing CoO6 pentagonal pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Co(1), and one Co(3) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Co(2) atoms to form a mixture of distorted face and corner-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles are 26°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr6(CoO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.850
_cell_length_b   6.850
_cell_length_c   6.850
_cell_angle_alpha   87.929
_cell_angle_beta   87.929
_cell_angle_gamma   87.929
_symmetry_Int_Tables_number   1
_cell_volume   320.861
_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  0.860  0.140  1.0
  Sr  Sr1  1  0.140  0.500  0.860  1.0
  Sr  Sr2  1  0.860  0.140  0.500  1.0
  Sr  Sr3  1  0.000  0.678  0.322  1.0
  Sr  Sr4  1  0.322  0.000  0.678  1.0
  Sr  Sr5  1  0.678  0.322  0.000  1.0
  Co  Co6  1  0.706  0.706  0.706  1.0
  Co  Co7  1  0.294  0.294  0.294  1.0
  Co  Co8  1  0.904  0.904  0.904  1.0
  Co  Co9  1  0.096  0.096  0.096  1.0
  Co  Co10  1  0.500  0.500  0.500  1.0
  O  O11  1  0.362  0.554  0.266  1.0
  O  O12  1  0.266  0.362  0.554  1.0
  O  O13  1  0.554  0.266  0.362  1.0
  O  O14  1  0.638  0.734  0.446  1.0
  O  O15  1  0.446  0.638  0.734  1.0
  O  O16  1  0.734  0.446  0.638  1.0
  O  O17  1  0.205  0.030  0.340  1.0
  O  O18  1  0.340  0.205  0.030  1.0
  O  O19  1  0.030  0.340  0.205  1.0
  O  O20  1  0.795  0.660  0.970  1.0
  O  O21  1  0.970  0.795  0.660  1.0
  O  O22  1  0.156  0.844  0.000  1.0
  O  O23  1  0.844  0.000  0.156  1.0
  O  O24  1  0.000  0.156  0.844  1.0
  O  O25  1  0.660  0.970  0.795  1.0
[/CIF]
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