The structure described by Sr2FeOsO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. Sr(1) is bonded to four equivalent O(1) and eight equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Os(1)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. Os(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form OsO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Os(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Os(1), and one Fe(1) atom to form a mixture of distorted edge, face, and corner-sharing OSr4FeOs octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Os(1), and one Fe(1) atom to form a mixture of distorted edge, face, and corner-sharing OSr4FeOs octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2FeOsO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.614
_cell_length_b   5.638
_cell_length_c   5.614
_cell_angle_alpha   119.860
_cell_angle_beta   90.000
_cell_angle_gamma   119.860
_symmetry_Int_Tables_number   1
_cell_volume   126.158
_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
  Fe  Fe0  1  0.000  0.000  1.000  1.0
  O  O1  1  0.746  0.493  0.746  1.0
  O  O2  1  0.252  1.000  0.748  1.0
  O  O3  1  0.252  1.000  0.253  1.0
  O  O4  1  0.254  0.507  0.254  1.0
  O  O5  1  0.747  1.000  0.253  1.0
  O  O6  1  0.747  1.000  0.748  1.0
  Os  Os7  1  0.500  1.000  0.500  1.0
  Sr  Sr8  1  0.250  0.500  0.750  1.0
  Sr  Sr9  1  0.750  0.500  0.250  1.0
[/CIF]
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The structure described by Sr2FeOsO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. Sr(1) is bonded to four equivalent O(1) and eight equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Os(1)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. Os(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form OsO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Os(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Os(1), and one Fe(1) atom to form a mixture of distorted edge, face, and corner-sharing OSr4FeOs octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Os(1), and one Fe(1) atom to form a mixture of distorted edge, face, and corner-sharing OSr4FeOs octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2FeOsO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.614
_cell_length_b   5.638
_cell_length_c   5.614
_cell_angle_alpha   119.860
_cell_angle_beta   90.000
_cell_angle_gamma   119.860
_symmetry_Int_Tables_number   1
_cell_volume   126.158
_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
  Fe  Fe0  1  0.000  0.000  1.000  1.0
  O  O1  1  0.746  0.493  0.746  1.0
  O  O2  1  0.252  1.000  0.748  1.0
  O  O3  1  0.252  1.000  0.253  1.0
  O  O4  1  0.254  0.507  0.254  1.0
  O  O5  1  0.747  1.000  0.253  1.0
  O  O6  1  0.747  1.000  0.748  1.0
  Os  Os7  1  0.500  1.000  0.500  1.0
  Sr  Sr8  1  0.250  0.500  0.750  1.0
  Sr  Sr9  1  0.750  0.500  0.250  1.0
[/CIF]
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