The crystal structure described by Sr6RuIr2O12 is (La,Ba)CuO4-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(1), one O(3), two equivalent O(4), two equivalent O(5), and three equivalent O(2) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(3), and four equivalent O(5) atoms. Ru(1) is bonded to two equivalent O(1) and four equivalent O(5) atoms to form RuO6 octahedra that share corners with four equivalent Ir(1)O6 octahedra. The corner-sharing octahedra are not tilted. Ir(1) is bonded to one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form IrO6 octahedra that share corners with two equivalent Ru(1)O6 octahedra and corners with two equivalent Ir(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Sr(2), two equivalent Sr(1), two equivalent Sr(3), and one Ru(1) atom to form OSr5Ru octahedra that share  a cornercorner with one O(2)Sr5Ir octahedra,  a cornercorner with one O(3)Sr5Ir octahedra, corners with three equivalent O(1)Sr5Ru octahedra, corners with six equivalent O(4)Sr4Ir2 octahedra, corners with six equivalent O(5)Sr4IrRu octahedra,  an edgeedge with one O(1)Sr5Ru octahedra, edges with three equivalent O(2)Sr5Ir octahedra, edges with four equivalent O(3)Sr5Ir octahedra, and faces with four equivalent O(5)Sr4IrRu octahedra. The corner-sharing octahedral tilt angles range from 0-56°. In the second O site, O(2) is bonded to one Sr(1), one Sr(3), three equivalent Sr(2), and one Ir(1) atom to form OSr5Ir octahedra that share  a cornercorner with one O(1)Sr5Ru octahedra, corners with two equivalent O(2)Sr5Ir octahedra, corners with two equivalent O(3)Sr5Ir octahedra, corners with four equivalent O(4)Sr4Ir2 octahedra, corners with eight equivalent O(5)Sr4IrRu octahedra, edges with two equivalent O(2)Sr5Ir octahedra, edges with three equivalent O(3)Sr5Ir octahedra, edges with three equivalent O(1)Sr5Ru octahedra, faces with two equivalent O(4)Sr4Ir2 octahedra, and faces with two equivalent O(5)Sr4IrRu octahedra. The corner-sharing octahedral tilt angles range from 1-56°. In the third O site, O(3) is bonded to one Sr(2), two equivalent Sr(1), two equivalent Sr(3), and one Ir(1) atom to form OSr5Ir octahedra that share  a cornercorner with one O(1)Sr5Ru octahedra, corners with two equivalent O(4)Sr4Ir2 octahedra, corners with two equivalent O(2)Sr5Ir octahedra, corners with two equivalent O(3)Sr5Ir octahedra, corners with ten equivalent O(5)Sr4IrRu octahedra,  an edgeedge with one O(3)Sr5Ir octahedra, edges with three equivalent O(2)Sr5Ir octahedra, edges with four equivalent O(1)Sr5Ru octahedra, faces with two equivalent O(4)Sr4Ir2 octahedra, and faces with two equivalent O(5)Sr4IrRu octahedra. The corner-sharing octahedral tilt angles range from 1-56°. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ir(1) atoms to form OSr4Ir2 octahedra that share corners with two equivalent O(5)Sr4IrRu octahedra, corners with two equivalent O(3)Sr5Ir octahedra, corners with four equivalent O(2)Sr5Ir octahedra, corners with six equivalent O(1)Sr5Ru octahedra, edges with two equivalent O(5)Sr4IrRu octahedra, faces with two equivalent O(4)Sr4Ir2 octahedra, faces with two equivalent O(5)Sr4IrRu octahedra, faces with two equivalent O(2)Sr5Ir octahedra, and faces with two equivalent O(3)Sr5Ir octahedra. The corner-sharing octahedral tilt angles range from 1-56°. 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 Ir(1) atom to form distorted OSr4IrRu octahedra that share  a cornercorner with one O(4)Sr4Ir2 octahedra,  a cornercorner with one O(5)Sr4IrRu octahedra, corners with three equivalent O(1)Sr5Ru octahedra, corners with four equivalent O(2)Sr5Ir octahedra, corners with five equivalent O(3)Sr5Ir octahedra,  an edgeedge with one O(4)Sr4Ir2 octahedra,  an edgeedge with one O(5)Sr4IrRu octahedra,  a faceface with one O(4)Sr4Ir2 octahedra,  a faceface with one O(2)Sr5Ir octahedra,  a faceface with one O(3)Sr5Ir octahedra, faces with two equivalent O(1)Sr5Ru octahedra, and faces with three equivalent O(5)Sr4IrRu octahedra. The corner-sharing octahedral tilt angles range from 0-56°. is represented by the CIF card [CIF]
data_Sr6Ir2RuO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.808
_cell_length_b   8.808
_cell_length_c   6.978
_cell_angle_alpha   67.750
_cell_angle_beta   67.750
_cell_angle_gamma   36.880
_symmetry_Int_Tables_number   1
_cell_volume   297.856
_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  0.882  0.882  0.707  1.0
  Sr  Sr1  1  0.216  0.216  0.706  1.0
  Sr  Sr2  1  0.549  0.549  0.705  1.0
  Sr  Sr3  1  0.451  0.451  0.295  1.0
  Sr  Sr4  1  0.784  0.784  0.294  1.0
  Sr  Sr5  1  0.118  0.118  0.293  1.0
  Ir  Ir6  1  0.666  0.666  0.000  1.0
  Ir  Ir7  1  0.334  0.334  1.000  1.0
  Ru  Ru8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.946  0.946  0.325  1.0
  O  O10  1  0.279  0.279  0.326  1.0
  O  O11  1  0.612  0.612  0.326  1.0
  O  O12  1  0.388  0.388  0.674  1.0
  O  O13  1  0.721  0.721  0.674  1.0
  O  O14  1  0.054  0.054  0.675  1.0
  O  O15  1  0.500  0.000  0.000  1.0
  O  O16  1  0.834  0.331  1.000  1.0
  O  O17  1  0.166  0.669  0.000  1.0
  O  O18  1  0.000  0.500  0.000  1.0
  O  O19  1  0.331  0.834  1.000  1.0
  O  O20  1  0.669  0.166  0.000  1.0
[/CIF]
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The crystal structure described by Sr6RuIr2O12 is (La,Ba)CuO4-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(1), one O(3), two equivalent O(4), two equivalent O(5), and three equivalent O(2) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(3), and four equivalent O(5) atoms. Ru(1) is bonded to two equivalent O(1) and four equivalent O(5) atoms to form RuO6 octahedra that share corners with four equivalent Ir(1)O6 octahedra. The corner-sharing octahedra are not tilted. Ir(1) is bonded to one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form IrO6 octahedra that share corners with two equivalent Ru(1)O6 octahedra and corners with two equivalent Ir(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Sr(2), two equivalent Sr(1), two equivalent Sr(3), and one Ru(1) atom to form OSr5Ru octahedra that share  a cornercorner with one O(2)Sr5Ir octahedra,  a cornercorner with one O(3)Sr5Ir octahedra, corners with three equivalent O(1)Sr5Ru octahedra, corners with six equivalent O(4)Sr4Ir2 octahedra, corners with six equivalent O(5)Sr4IrRu octahedra,  an edgeedge with one O(1)Sr5Ru octahedra, edges with three equivalent O(2)Sr5Ir octahedra, edges with four equivalent O(3)Sr5Ir octahedra, and faces with four equivalent O(5)Sr4IrRu octahedra. The corner-sharing octahedral tilt angles range from 0-56°. In the second O site, O(2) is bonded to one Sr(1), one Sr(3), three equivalent Sr(2), and one Ir(1) atom to form OSr5Ir octahedra that share  a cornercorner with one O(1)Sr5Ru octahedra, corners with two equivalent O(2)Sr5Ir octahedra, corners with two equivalent O(3)Sr5Ir octahedra, corners with four equivalent O(4)Sr4Ir2 octahedra, corners with eight equivalent O(5)Sr4IrRu octahedra, edges with two equivalent O(2)Sr5Ir octahedra, edges with three equivalent O(3)Sr5Ir octahedra, edges with three equivalent O(1)Sr5Ru octahedra, faces with two equivalent O(4)Sr4Ir2 octahedra, and faces with two equivalent O(5)Sr4IrRu octahedra. The corner-sharing octahedral tilt angles range from 1-56°. In the third O site, O(3) is bonded to one Sr(2), two equivalent Sr(1), two equivalent Sr(3), and one Ir(1) atom to form OSr5Ir octahedra that share  a cornercorner with one O(1)Sr5Ru octahedra, corners with two equivalent O(4)Sr4Ir2 octahedra, corners with two equivalent O(2)Sr5Ir octahedra, corners with two equivalent O(3)Sr5Ir octahedra, corners with ten equivalent O(5)Sr4IrRu octahedra,  an edgeedge with one O(3)Sr5Ir octahedra, edges with three equivalent O(2)Sr5Ir octahedra, edges with four equivalent O(1)Sr5Ru octahedra, faces with two equivalent O(4)Sr4Ir2 octahedra, and faces with two equivalent O(5)Sr4IrRu octahedra. The corner-sharing octahedral tilt angles range from 1-56°. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ir(1) atoms to form OSr4Ir2 octahedra that share corners with two equivalent O(5)Sr4IrRu octahedra, corners with two equivalent O(3)Sr5Ir octahedra, corners with four equivalent O(2)Sr5Ir octahedra, corners with six equivalent O(1)Sr5Ru octahedra, edges with two equivalent O(5)Sr4IrRu octahedra, faces with two equivalent O(4)Sr4Ir2 octahedra, faces with two equivalent O(5)Sr4IrRu octahedra, faces with two equivalent O(2)Sr5Ir octahedra, and faces with two equivalent O(3)Sr5Ir octahedra. The corner-sharing octahedral tilt angles range from 1-56°. 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 Ir(1) atom to form distorted OSr4IrRu octahedra that share  a cornercorner with one O(4)Sr4Ir2 octahedra,  a cornercorner with one O(5)Sr4IrRu octahedra, corners with three equivalent O(1)Sr5Ru octahedra, corners with four equivalent O(2)Sr5Ir octahedra, corners with five equivalent O(3)Sr5Ir octahedra,  an edgeedge with one O(4)Sr4Ir2 octahedra,  an edgeedge with one O(5)Sr4IrRu octahedra,  a faceface with one O(4)Sr4Ir2 octahedra,  a faceface with one O(2)Sr5Ir octahedra,  a faceface with one O(3)Sr5Ir octahedra, faces with two equivalent O(1)Sr5Ru octahedra, and faces with three equivalent O(5)Sr4IrRu octahedra. The corner-sharing octahedral tilt angles range from 0-56°. is represented by the CIF card [CIF]
data_Sr6Ir2RuO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.808
_cell_length_b   8.808
_cell_length_c   6.978
_cell_angle_alpha   67.750
_cell_angle_beta   67.750
_cell_angle_gamma   36.880
_symmetry_Int_Tables_number   1
_cell_volume   297.856
_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  0.882  0.882  0.707  1.0
  Sr  Sr1  1  0.216  0.216  0.706  1.0
  Sr  Sr2  1  0.549  0.549  0.705  1.0
  Sr  Sr3  1  0.451  0.451  0.295  1.0
  Sr  Sr4  1  0.784  0.784  0.294  1.0
  Sr  Sr5  1  0.118  0.118  0.293  1.0
  Ir  Ir6  1  0.666  0.666  0.000  1.0
  Ir  Ir7  1  0.334  0.334  1.000  1.0
  Ru  Ru8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.946  0.946  0.325  1.0
  O  O10  1  0.279  0.279  0.326  1.0
  O  O11  1  0.612  0.612  0.326  1.0
  O  O12  1  0.388  0.388  0.674  1.0
  O  O13  1  0.721  0.721  0.674  1.0
  O  O14  1  0.054  0.054  0.675  1.0
  O  O15  1  0.500  0.000  0.000  1.0
  O  O16  1  0.834  0.331  1.000  1.0
  O  O17  1  0.166  0.669  0.000  1.0
  O  O18  1  0.000  0.500  0.000  1.0
  O  O19  1  0.331  0.834  1.000  1.0
  O  O20  1  0.669  0.166  0.000  1.0
[/CIF]
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