The crystal structure described by Sr3RuCoO6 crystallizes in the triclinic P-1 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(4), one O(5), two equivalent O(1), and two equivalent O(6) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(5), one O(6), two equivalent O(2), and two equivalent O(4) atoms. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(6), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in an octahedral geometry to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. In the second Ru site, Ru(2) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Co(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Sr(2), one Sr(3), two equivalent Sr(1), one Ru(2), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the second O site, O(2) is bonded to one Sr(1), one Sr(3), two equivalent Sr(2), one Ru(2), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the third O site, O(3) is bonded to one Sr(1), one Sr(2), two equivalent Sr(3), one Ru(2), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the fourth O site, O(4) is bonded to one Sr(1), one Sr(3), two equivalent Sr(2), one Ru(1), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(2), two equivalent Sr(3), one Ru(1), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the sixth O site, O(6) is bonded to one Sr(2), one Sr(3), two equivalent Sr(1), one Ru(1), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 0-62°. is represented by the CIF card [CIF]
data_Sr3CoRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.631
_cell_length_b   6.779
_cell_length_c   6.633
_cell_angle_alpha   92.071
_cell_angle_beta   93.391
_cell_angle_gamma   92.082
_symmetry_Int_Tables_number   1
_cell_volume   297.265
_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  0.615  0.889  0.251  1.0
  Sr  Sr1  1  0.884  0.250  0.616  1.0
  Sr  Sr2  1  0.249  0.611  0.884  1.0
  Sr  Sr3  1  0.116  0.750  0.384  1.0
  Sr  Sr4  1  0.751  0.389  0.116  1.0
  Sr  Sr5  1  0.385  0.111  0.749  1.0
  Co  Co6  1  0.237  0.250  0.263  1.0
  Co  Co7  1  0.763  0.750  0.737  1.0
  Ru  Ru8  1  1.000  0.000  0.000  1.0
  Ru  Ru9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.528  0.214  0.399  1.0
  O  O11  1  0.209  0.407  0.533  1.0
  O  O12  1  0.417  0.552  0.220  1.0
  O  O13  1  0.033  0.907  0.709  1.0
  O  O14  1  0.899  0.714  0.028  1.0
  O  O15  1  0.720  0.053  0.917  1.0
  O  O16  1  0.472  0.786  0.601  1.0
  O  O17  1  0.791  0.593  0.467  1.0
  O  O18  1  0.583  0.448  0.780  1.0
  O  O19  1  0.967  0.093  0.291  1.0
  O  O20  1  0.101  0.286  0.972  1.0
  O  O21  1  0.280  0.947  0.083  1.0
[/CIF]
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The crystal structure described by Sr3RuCoO6 crystallizes in the triclinic P-1 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(4), one O(5), two equivalent O(1), and two equivalent O(6) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(5), one O(6), two equivalent O(2), and two equivalent O(4) atoms. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(6), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in an octahedral geometry to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. In the second Ru site, Ru(2) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Co(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Sr(2), one Sr(3), two equivalent Sr(1), one Ru(2), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the second O site, O(2) is bonded to one Sr(1), one Sr(3), two equivalent Sr(2), one Ru(2), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the third O site, O(3) is bonded to one Sr(1), one Sr(2), two equivalent Sr(3), one Ru(2), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the fourth O site, O(4) is bonded to one Sr(1), one Sr(3), two equivalent Sr(2), one Ru(1), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(2), two equivalent Sr(3), one Ru(1), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the sixth O site, O(6) is bonded to one Sr(2), one Sr(3), two equivalent Sr(1), one Ru(1), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 0-62°. is represented by the CIF card [CIF]
data_Sr3CoRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.631
_cell_length_b   6.779
_cell_length_c   6.633
_cell_angle_alpha   92.071
_cell_angle_beta   93.391
_cell_angle_gamma   92.082
_symmetry_Int_Tables_number   1
_cell_volume   297.265
_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  0.615  0.889  0.251  1.0
  Sr  Sr1  1  0.884  0.250  0.616  1.0
  Sr  Sr2  1  0.249  0.611  0.884  1.0
  Sr  Sr3  1  0.116  0.750  0.384  1.0
  Sr  Sr4  1  0.751  0.389  0.116  1.0
  Sr  Sr5  1  0.385  0.111  0.749  1.0
  Co  Co6  1  0.237  0.250  0.263  1.0
  Co  Co7  1  0.763  0.750  0.737  1.0
  Ru  Ru8  1  1.000  0.000  0.000  1.0
  Ru  Ru9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.528  0.214  0.399  1.0
  O  O11  1  0.209  0.407  0.533  1.0
  O  O12  1  0.417  0.552  0.220  1.0
  O  O13  1  0.033  0.907  0.709  1.0
  O  O14  1  0.899  0.714  0.028  1.0
  O  O15  1  0.720  0.053  0.917  1.0
  O  O16  1  0.472  0.786  0.601  1.0
  O  O17  1  0.791  0.593  0.467  1.0
  O  O18  1  0.583  0.448  0.780  1.0
  O  O19  1  0.967  0.093  0.291  1.0
  O  O20  1  0.101  0.286  0.972  1.0
  O  O21  1  0.280  0.947  0.083  1.0
[/CIF]
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