The crystal structure described by SrOsO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. Os(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing OsO6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Sr(1) and two equivalent Os(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sr(1) and two equivalent Os(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrOsO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.586
_cell_length_b   5.652
_cell_length_c   7.970
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   251.606
_cell_formula_units_Z   4
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  0.976  0.503  0.250  1.0
  Sr  Sr1  1  0.476  0.997  0.250  1.0
  Sr  Sr2  1  0.024  0.497  0.750  1.0
  Sr  Sr3  1  0.524  0.003  0.750  1.0
  Os  Os4  1  0.500  0.500  0.000  1.0
  Os  Os5  1  0.000  0.000  0.500  1.0
  Os  Os6  1  0.500  0.500  0.500  1.0
  Os  Os7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.506  0.431  0.250  1.0
  O  O9  1  0.006  0.069  0.250  1.0
  O  O10  1  0.494  0.569  0.750  1.0
  O  O11  1  0.994  0.931  0.750  1.0
  O  O12  1  0.216  0.717  0.035  1.0
  O  O13  1  0.716  0.783  0.465  1.0
  O  O14  1  0.784  0.283  0.535  1.0
  O  O15  1  0.284  0.217  0.965  1.0
  O  O16  1  0.784  0.283  0.965  1.0
  O  O17  1  0.284  0.217  0.535  1.0
  O  O18  1  0.216  0.717  0.465  1.0
  O  O19  1  0.716  0.783  0.035  1.0
[/CIF]
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The crystal structure described by SrOsO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. Os(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing OsO6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Sr(1) and two equivalent Os(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sr(1) and two equivalent Os(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrOsO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.586
_cell_length_b   5.652
_cell_length_c   7.970
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   251.606
_cell_formula_units_Z   4
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  0.976  0.503  0.250  1.0
  Sr  Sr1  1  0.476  0.997  0.250  1.0
  Sr  Sr2  1  0.024  0.497  0.750  1.0
  Sr  Sr3  1  0.524  0.003  0.750  1.0
  Os  Os4  1  0.500  0.500  0.000  1.0
  Os  Os5  1  0.000  0.000  0.500  1.0
  Os  Os6  1  0.500  0.500  0.500  1.0
  Os  Os7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.506  0.431  0.250  1.0
  O  O9  1  0.006  0.069  0.250  1.0
  O  O10  1  0.494  0.569  0.750  1.0
  O  O11  1  0.994  0.931  0.750  1.0
  O  O12  1  0.216  0.717  0.035  1.0
  O  O13  1  0.716  0.783  0.465  1.0
  O  O14  1  0.784  0.283  0.535  1.0
  O  O15  1  0.284  0.217  0.965  1.0
  O  O16  1  0.784  0.283  0.965  1.0
  O  O17  1  0.284  0.217  0.535  1.0
  O  O18  1  0.216  0.717  0.465  1.0
  O  O19  1  0.716  0.783  0.035  1.0
[/CIF]
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