The crystal structure described by Sr3RuCoO6 crystallizes in the triclinic P1 space group. There are six inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(12), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(4), one O(6), one O(8), and one O(9) atom. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), one O(7), and one O(9) atom. In the fourth Sr site, Sr(4) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. In the fifth Sr site, Sr(5) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(5), one O(6), one O(8), and one O(9) atom. In the sixth Sr site, Sr(6) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(4), one O(6), one O(7), and one O(9) atom. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom. In the second Ru site, Ru(2) is bonded in an octahedral geometry to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), and one O(3) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), one Sr(2), one Sr(5), one Sr(6), one Ru(1), and one Co(2) atom to form a mixture of distorted face, corner, and edge-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 1-65°. In the second O site, O(2) is bonded to one Sr(2), one Sr(3), one Sr(4), one Sr(6), one Ru(1), and one Co(2) atom to form a mixture of distorted face, corner, and edge-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 1-67°. In the third O site, O(3) is bonded to one Sr(1), one Sr(3), one Sr(4), one Sr(5), one Ru(1), and one Co(2) atom to form a mixture of distorted face, corner, and edge-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 1-66°. In the fourth O site, O(4) is bonded to one Sr(2), one Sr(3), one Sr(4), one Sr(6), one Ru(2), and one Co(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(3), one Sr(4), one Sr(5), one Ru(2), and one Co(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 1-67°. In the sixth O site, O(6) is bonded to one Sr(1), one Sr(2), one Sr(5), one Sr(6), one Ru(2), and one Co(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 1-66°. In the seventh O site, O(7) is bonded to one Sr(1), one Sr(3), one Sr(4), one Sr(6), one Ru(1), and one Co(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 1-63°. In the eighth O site, O(8) is bonded to one Sr(1), one Sr(2), one Sr(4), one Sr(5), one Ru(1), and one Co(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 1-67°. In the ninth O site, O(9) is bonded to one Sr(2), one Sr(3), one Sr(5), one Sr(6), one Ru(1), and one Co(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 1-67°. In the tenth O site, O(10) is bonded to one Sr(1), one Sr(2), one Sr(4), one Sr(5), one Ru(2), and one Co(2) atom to form a mixture of distorted face, corner, and edge-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the eleventh O site, O(11) is bonded to one Sr(2), one Sr(3), one Sr(5), one Sr(6), one Ru(2), and one Co(2) atom to form a mixture of distorted face, corner, and edge-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 1-67°. In the twelfth O site, O(12) is bonded to one Sr(1), one Sr(3), one Sr(4), one Sr(6), one Ru(2), and one Co(2) atom to form a mixture of distorted face, corner, and edge-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 1-67°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3CoRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.841
_cell_length_b   6.719
_cell_length_c   6.683
_cell_angle_alpha   92.966
_cell_angle_beta   91.930
_cell_angle_gamma   91.678
_symmetry_Int_Tables_number   1
_cell_volume   306.435
_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  0.611  0.884  0.249  1.0
  Sr  Sr1  1  0.890  0.250  0.613  1.0
  Sr  Sr2  1  0.248  0.614  0.888  1.0
  Sr  Sr3  1  0.109  0.748  0.386  1.0
  Sr  Sr4  1  0.752  0.385  0.114  1.0
  Sr  Sr5  1  0.390  0.118  0.753  1.0
  Co  Co6  1  0.741  0.736  0.765  1.0
  Co  Co7  1  0.261  0.252  0.244  1.0
  Ru  Ru8  1  0.500  0.504  0.500  1.0
  Ru  Ru9  1  0.000  0.000  0.997  1.0
  O  O10  1  0.543  0.221  0.407  1.0
  O  O11  1  0.214  0.407  0.532  1.0
  O  O12  1  0.409  0.542  0.212  1.0
  O  O13  1  0.059  0.921  0.718  1.0
  O  O14  1  0.905  0.710  0.031  1.0
  O  O15  1  0.714  0.030  0.898  1.0
  O  O16  1  0.451  0.783  0.588  1.0
  O  O17  1  0.786  0.596  0.469  1.0
  O  O18  1  0.591  0.461  0.791  1.0
  O  O19  1  0.944  0.082  0.279  1.0
  O  O20  1  0.096  0.288  0.967  1.0
  O  O21  1  0.285  0.969  0.099  1.0
[/CIF]
.
The crystal structure described by Sr3RuCoO6 crystallizes in the triclinic P1 space group. There are six inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(12), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(4), one O(6), one O(8), and one O(9) atom. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), one O(7), and one O(9) atom. In the fourth Sr site, Sr(4) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. In the fifth Sr site, Sr(5) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(5), one O(6), one O(8), and one O(9) atom. In the sixth Sr site, Sr(6) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(4), one O(6), one O(7), and one O(9) atom. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom. In the second Ru site, Ru(2) is bonded in an octahedral geometry to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), and one O(3) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), one Sr(2), one Sr(5), one Sr(6), one Ru(1), and one Co(2) atom to form a mixture of distorted face, corner, and edge-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 1-65°. In the second O site, O(2) is bonded to one Sr(2), one Sr(3), one Sr(4), one Sr(6), one Ru(1), and one Co(2) atom to form a mixture of distorted face, corner, and edge-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 1-67°. In the third O site, O(3) is bonded to one Sr(1), one Sr(3), one Sr(4), one Sr(5), one Ru(1), and one Co(2) atom to form a mixture of distorted face, corner, and edge-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 1-66°. In the fourth O site, O(4) is bonded to one Sr(2), one Sr(3), one Sr(4), one Sr(6), one Ru(2), and one Co(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(3), one Sr(4), one Sr(5), one Ru(2), and one Co(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 1-67°. In the sixth O site, O(6) is bonded to one Sr(1), one Sr(2), one Sr(5), one Sr(6), one Ru(2), and one Co(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 1-66°. In the seventh O site, O(7) is bonded to one Sr(1), one Sr(3), one Sr(4), one Sr(6), one Ru(1), and one Co(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 1-63°. In the eighth O site, O(8) is bonded to one Sr(1), one Sr(2), one Sr(4), one Sr(5), one Ru(1), and one Co(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 1-67°. In the ninth O site, O(9) is bonded to one Sr(2), one Sr(3), one Sr(5), one Sr(6), one Ru(1), and one Co(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 1-67°. In the tenth O site, O(10) is bonded to one Sr(1), one Sr(2), one Sr(4), one Sr(5), one Ru(2), and one Co(2) atom to form a mixture of distorted face, corner, and edge-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the eleventh O site, O(11) is bonded to one Sr(2), one Sr(3), one Sr(5), one Sr(6), one Ru(2), and one Co(2) atom to form a mixture of distorted face, corner, and edge-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 1-67°. In the twelfth O site, O(12) is bonded to one Sr(1), one Sr(3), one Sr(4), one Sr(6), one Ru(2), and one Co(2) atom to form a mixture of distorted face, corner, and edge-sharing OSr4CoRu octahedra. The corner-sharing octahedral tilt angles range from 1-67°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3CoRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.841
_cell_length_b   6.719
_cell_length_c   6.683
_cell_angle_alpha   92.966
_cell_angle_beta   91.930
_cell_angle_gamma   91.678
_symmetry_Int_Tables_number   1
_cell_volume   306.435
_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  0.611  0.884  0.249  1.0
  Sr  Sr1  1  0.890  0.250  0.613  1.0
  Sr  Sr2  1  0.248  0.614  0.888  1.0
  Sr  Sr3  1  0.109  0.748  0.386  1.0
  Sr  Sr4  1  0.752  0.385  0.114  1.0
  Sr  Sr5  1  0.390  0.118  0.753  1.0
  Co  Co6  1  0.741  0.736  0.765  1.0
  Co  Co7  1  0.261  0.252  0.244  1.0
  Ru  Ru8  1  0.500  0.504  0.500  1.0
  Ru  Ru9  1  0.000  0.000  0.997  1.0
  O  O10  1  0.543  0.221  0.407  1.0
  O  O11  1  0.214  0.407  0.532  1.0
  O  O12  1  0.409  0.542  0.212  1.0
  O  O13  1  0.059  0.921  0.718  1.0
  O  O14  1  0.905  0.710  0.031  1.0
  O  O15  1  0.714  0.030  0.898  1.0
  O  O16  1  0.451  0.783  0.588  1.0
  O  O17  1  0.786  0.596  0.469  1.0
  O  O18  1  0.591  0.461  0.791  1.0
  O  O19  1  0.944  0.082  0.279  1.0
  O  O20  1  0.096  0.288  0.967  1.0
  O  O21  1  0.285  0.969  0.099  1.0
[/CIF]
.