The material described by Sr2FeOsO6 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to three equivalent O(2) and nine equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(1)O12 cuboctahedra, corners with six equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra,  a faceface with one Os(1)O6 octahedra, faces with three equivalent Os(2)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. In the second Sr site, Sr(2) is bonded to three equivalent O(1) and nine equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(1)O12 cuboctahedra, corners with six equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra,  a faceface with one Os(2)O6 octahedra, faces with three equivalent Os(1)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded to six equivalent O(2) atoms to form OsO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with six equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 1°. In the second Os site, Os(2) is bonded to six equivalent O(1) atoms to form OsO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra, faces with two equivalent Sr(2)O12 cuboctahedra, and faces with six equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Fe(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form FeO6 octahedra that share corners with three equivalent Os(1)O6 octahedra, corners with three equivalent Os(2)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Sr(2), three equivalent Sr(1), one Os(2), and one Fe(1) atom to form a mixture of distorted corner, face, and edge-sharing OSr4FeOs octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded to one Sr(1), three equivalent Sr(2), one Os(1), and one Fe(1) atom to form a mixture of distorted corner, face, and edge-sharing OSr4FeOs octahedra. The corner-sharing octahedral tilt angles range from 0-61°. is represented by the CIF card [CIF]
data_Sr2FeOsO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.631
_cell_length_b   5.631
_cell_length_c   5.631
_cell_angle_alpha   60.019
_cell_angle_beta   60.019
_cell_angle_gamma   60.019
_symmetry_Int_Tables_number   1
_cell_volume   126.333
_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  0.000  1.0
  O  O1  1  0.746  0.253  0.253  1.0
  O  O2  1  0.747  0.747  0.254  1.0
  O  O3  1  0.253  0.746  0.253  1.0
  O  O4  1  0.254  0.747  0.747  1.0
  O  O5  1  0.253  0.253  0.746  1.0
  O  O6  1  0.747  0.254  0.747  1.0
  Os  Os7  1  0.500  0.500  0.500  1.0
  Sr  Sr8  1  0.750  0.750  0.750  1.0
  Sr  Sr9  1  0.250  0.250  0.250  1.0
[/CIF]
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The material described by Sr2FeOsO6 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to three equivalent O(2) and nine equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(1)O12 cuboctahedra, corners with six equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra,  a faceface with one Os(1)O6 octahedra, faces with three equivalent Os(2)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. In the second Sr site, Sr(2) is bonded to three equivalent O(1) and nine equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(1)O12 cuboctahedra, corners with six equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra,  a faceface with one Os(2)O6 octahedra, faces with three equivalent Os(1)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded to six equivalent O(2) atoms to form OsO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with six equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 1°. In the second Os site, Os(2) is bonded to six equivalent O(1) atoms to form OsO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra, faces with two equivalent Sr(2)O12 cuboctahedra, and faces with six equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Fe(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form FeO6 octahedra that share corners with three equivalent Os(1)O6 octahedra, corners with three equivalent Os(2)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Sr(2), three equivalent Sr(1), one Os(2), and one Fe(1) atom to form a mixture of distorted corner, face, and edge-sharing OSr4FeOs octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded to one Sr(1), three equivalent Sr(2), one Os(1), and one Fe(1) atom to form a mixture of distorted corner, face, and edge-sharing OSr4FeOs octahedra. The corner-sharing octahedral tilt angles range from 0-61°. is represented by the CIF card [CIF]
data_Sr2FeOsO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.631
_cell_length_b   5.631
_cell_length_c   5.631
_cell_angle_alpha   60.019
_cell_angle_beta   60.019
_cell_angle_gamma   60.019
_symmetry_Int_Tables_number   1
_cell_volume   126.333
_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  0.000  1.0
  O  O1  1  0.746  0.253  0.253  1.0
  O  O2  1  0.747  0.747  0.254  1.0
  O  O3  1  0.253  0.746  0.253  1.0
  O  O4  1  0.254  0.747  0.747  1.0
  O  O5  1  0.253  0.253  0.746  1.0
  O  O6  1  0.747  0.254  0.747  1.0
  Os  Os7  1  0.500  0.500  0.500  1.0
  Sr  Sr8  1  0.750  0.750  0.750  1.0
  Sr  Sr9  1  0.250  0.250  0.250  1.0
[/CIF]
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