The crystal structure described by Sr2RuO6 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(2), and three equivalent O(3) atoms. Ru(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr(1), one Ru(1), and one O(3) atom. In the second O site, O(2) is bonded in a T-shaped geometry to two equivalent Sr(1) and one Ru(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Sr(1) and one O(1) atom. is represented by the CIF card [CIF]
data_Sr2RuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.321
_cell_length_b   6.939
_cell_length_c   9.785
_cell_angle_alpha   47.326
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   315.536
_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  0.821  0.431  0.898  1.0
  Sr  Sr1  1  0.679  0.431  0.398  1.0
  Sr  Sr2  1  0.321  0.569  0.602  1.0
  Sr  Sr3  1  0.179  0.569  0.102  1.0
  Ru  Ru4  1  0.000  0.000  0.500  1.0
  Ru  Ru5  1  0.500  0.000  0.000  1.0
  O  O6  1  0.067  0.349  0.424  1.0
  O  O7  1  0.774  0.944  0.634  1.0
  O  O8  1  0.284  0.425  0.423  1.0
  O  O9  1  0.726  0.944  0.134  1.0
  O  O10  1  0.216  0.425  0.923  1.0
  O  O11  1  0.433  0.349  0.924  1.0
  O  O12  1  0.567  0.651  0.076  1.0
  O  O13  1  0.784  0.575  0.077  1.0
  O  O14  1  0.274  0.056  0.866  1.0
  O  O15  1  0.716  0.575  0.577  1.0
  O  O16  1  0.226  0.056  0.366  1.0
  O  O17  1  0.933  0.651  0.576  1.0
[/CIF]
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The crystal structure described by Sr2RuO6 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(2), and three equivalent O(3) atoms. Ru(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr(1), one Ru(1), and one O(3) atom. In the second O site, O(2) is bonded in a T-shaped geometry to two equivalent Sr(1) and one Ru(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Sr(1) and one O(1) atom. is represented by the CIF card [CIF]
data_Sr2RuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.321
_cell_length_b   6.939
_cell_length_c   9.785
_cell_angle_alpha   47.326
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   315.536
_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  0.821  0.431  0.898  1.0
  Sr  Sr1  1  0.679  0.431  0.398  1.0
  Sr  Sr2  1  0.321  0.569  0.602  1.0
  Sr  Sr3  1  0.179  0.569  0.102  1.0
  Ru  Ru4  1  0.000  0.000  0.500  1.0
  Ru  Ru5  1  0.500  0.000  0.000  1.0
  O  O6  1  0.067  0.349  0.424  1.0
  O  O7  1  0.774  0.944  0.634  1.0
  O  O8  1  0.284  0.425  0.423  1.0
  O  O9  1  0.726  0.944  0.134  1.0
  O  O10  1  0.216  0.425  0.923  1.0
  O  O11  1  0.433  0.349  0.924  1.0
  O  O12  1  0.567  0.651  0.076  1.0
  O  O13  1  0.784  0.575  0.077  1.0
  O  O14  1  0.274  0.056  0.866  1.0
  O  O15  1  0.716  0.575  0.577  1.0
  O  O16  1  0.226  0.056  0.366  1.0
  O  O17  1  0.933  0.651  0.576  1.0
[/CIF]
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