The material structure described by Sr(RuO3)2 crystallizes in the orthorhombic Imm2 space group. Sr(1) is bonded to two equivalent O(2), two equivalent O(3), and eight equivalent O(1) atoms to form distorted SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra and faces with eight equivalent Ru(1)O6 octahedra. Ru(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form RuO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 12-21°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Ru(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr(1) and two equivalent Ru(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to two equivalent Sr(1) and two equivalent Ru(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr(RuO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.466
_cell_length_b   5.466
_cell_length_c   5.466
_cell_angle_alpha   119.939
_cell_angle_beta   119.906
_cell_angle_gamma   90.135
_symmetry_Int_Tables_number   1
_cell_volume   115.620
_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  0.502  0.500  0.002  1.0
  Ru  Ru1  1  0.250  0.750  0.499  1.0
  Ru  Ru2  1  0.749  0.250  0.499  1.0
  O  O3  1  0.527  0.026  0.998  1.0
  O  O4  1  0.527  0.529  0.501  1.0
  O  O5  1  0.434  0.000  0.434  1.0
  O  O6  1  0.048  0.500  0.548  1.0
  O  O7  1  0.972  0.974  0.501  1.0
  O  O8  1  0.972  0.471  0.998  1.0
[/CIF]
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The material structure described by Sr(RuO3)2 crystallizes in the orthorhombic Imm2 space group. Sr(1) is bonded to two equivalent O(2), two equivalent O(3), and eight equivalent O(1) atoms to form distorted SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra and faces with eight equivalent Ru(1)O6 octahedra. Ru(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form RuO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 12-21°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Ru(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr(1) and two equivalent Ru(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to two equivalent Sr(1) and two equivalent Ru(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr(RuO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.466
_cell_length_b   5.466
_cell_length_c   5.466
_cell_angle_alpha   119.939
_cell_angle_beta   119.906
_cell_angle_gamma   90.135
_symmetry_Int_Tables_number   1
_cell_volume   115.620
_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  0.502  0.500  0.002  1.0
  Ru  Ru1  1  0.250  0.750  0.499  1.0
  Ru  Ru2  1  0.749  0.250  0.499  1.0
  O  O3  1  0.527  0.026  0.998  1.0
  O  O4  1  0.527  0.529  0.501  1.0
  O  O5  1  0.434  0.000  0.434  1.0
  O  O6  1  0.048  0.500  0.548  1.0
  O  O7  1  0.972  0.974  0.501  1.0
  O  O8  1  0.972  0.471  0.998  1.0
[/CIF]
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