The compound described by Sr3RuCoO6 crystallizes in the trigonal R-3c space group. Sr(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Ru(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. Co(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. O(1) is bonded to four equivalent Sr(1), one Ru(1), and one Co(1) atom to form a mixture of distorted edge, corner, and face-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 0-65°. is represented by the CIF file [CIF]
data_Sr3CoRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.745
_cell_length_b   6.745
_cell_length_c   6.745
_cell_angle_alpha   92.482
_cell_angle_beta   92.482
_cell_angle_gamma   92.482
_symmetry_Int_Tables_number   1
_cell_volume   306.006
_cell_formula_units_Z   2
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  0.613  0.887  0.250  1.0
  Sr  Sr1  1  0.887  0.250  0.613  1.0
  Sr  Sr2  1  0.250  0.613  0.887  1.0
  Sr  Sr3  1  0.113  0.750  0.387  1.0
  Sr  Sr4  1  0.750  0.387  0.113  1.0
  Sr  Sr5  1  0.387  0.113  0.750  1.0
  Co  Co6  1  0.250  0.250  0.250  1.0
  Co  Co7  1  0.750  0.750  0.750  1.0
  Ru  Ru8  1  0.500  0.500  0.500  1.0
  Ru  Ru9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.537  0.212  0.416  1.0
  O  O11  1  0.212  0.416  0.537  1.0
  O  O12  1  0.416  0.537  0.212  1.0
  O  O13  1  0.037  0.916  0.712  1.0
  O  O14  1  0.916  0.712  0.037  1.0
  O  O15  1  0.712  0.037  0.916  1.0
  O  O16  1  0.463  0.788  0.584  1.0
  O  O17  1  0.788  0.584  0.463  1.0
  O  O18  1  0.584  0.463  0.788  1.0
  O  O19  1  0.963  0.084  0.288  1.0
  O  O20  1  0.084  0.288  0.963  1.0
  O  O21  1  0.288  0.963  0.084  1.0
[/CIF]
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The compound described by Sr3RuCoO6 crystallizes in the trigonal R-3c space group. Sr(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Ru(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. Co(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. O(1) is bonded to four equivalent Sr(1), one Ru(1), and one Co(1) atom to form a mixture of distorted edge, corner, and face-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 0-65°. is represented by the CIF file [CIF]
data_Sr3CoRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.745
_cell_length_b   6.745
_cell_length_c   6.745
_cell_angle_alpha   92.482
_cell_angle_beta   92.482
_cell_angle_gamma   92.482
_symmetry_Int_Tables_number   1
_cell_volume   306.006
_cell_formula_units_Z   2
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  0.613  0.887  0.250  1.0
  Sr  Sr1  1  0.887  0.250  0.613  1.0
  Sr  Sr2  1  0.250  0.613  0.887  1.0
  Sr  Sr3  1  0.113  0.750  0.387  1.0
  Sr  Sr4  1  0.750  0.387  0.113  1.0
  Sr  Sr5  1  0.387  0.113  0.750  1.0
  Co  Co6  1  0.250  0.250  0.250  1.0
  Co  Co7  1  0.750  0.750  0.750  1.0
  Ru  Ru8  1  0.500  0.500  0.500  1.0
  Ru  Ru9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.537  0.212  0.416  1.0
  O  O11  1  0.212  0.416  0.537  1.0
  O  O12  1  0.416  0.537  0.212  1.0
  O  O13  1  0.037  0.916  0.712  1.0
  O  O14  1  0.916  0.712  0.037  1.0
  O  O15  1  0.712  0.037  0.916  1.0
  O  O16  1  0.463  0.788  0.584  1.0
  O  O17  1  0.788  0.584  0.463  1.0
  O  O18  1  0.584  0.463  0.788  1.0
  O  O19  1  0.963  0.084  0.288  1.0
  O  O20  1  0.084  0.288  0.963  1.0
  O  O21  1  0.288  0.963  0.084  1.0
[/CIF]
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