The crystal structure described by Sr2SnFeO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to two equivalent O(2), two equivalent O(3), and eight equivalent O(1) 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 Fe(1)O6 octahedra, and faces with four equivalent Sn(1)O6 octahedra. Fe(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Sn(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Sn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SnO6 octahedra that share corners with two equivalent Sn(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Fe(1), and one Sn(1) atom to form distorted OSr4FeSn octahedra that share corners with four equivalent O(3)Sr4Fe2 octahedra, corners with four equivalent O(2)Sr4Sn2 octahedra, corners with fourteen equivalent O(1)Sr4FeSn octahedra, edges with four equivalent O(1)Sr4FeSn octahedra, faces with two equivalent O(3)Sr4Fe2 octahedra, faces with two equivalent O(2)Sr4Sn2 octahedra, and faces with four equivalent O(1)Sr4FeSn octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Sn(1) atoms to form distorted OSr4Sn2 octahedra that share corners with six equivalent O(2)Sr4Sn2 octahedra, corners with sixteen equivalent O(1)Sr4FeSn octahedra, edges with four equivalent O(3)Sr4Fe2 octahedra, and faces with eight equivalent O(1)Sr4FeSn octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the third O site, O(3) is bonded to four equivalent Sr(1) and two equivalent Fe(1) atoms to form distorted OSr4Fe2 octahedra that share corners with six equivalent O(3)Sr4Fe2 octahedra, corners with sixteen equivalent O(1)Sr4FeSn octahedra, edges with four equivalent O(2)Sr4Sn2 octahedra, and faces with eight equivalent O(1)Sr4FeSn octahedra. The corner-sharing octahedral tilt angles range from 0-59°. is represented by the CIF card [CIF]
data_Sr2FeSnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.690
_cell_length_b   5.690
_cell_length_c   4.036
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   130.699
_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  0.500  0.000  0.000  1.0
  Sr  Sr1  1  0.000  0.500  0.000  1.0
  Fe  Fe2  1  0.000  0.000  0.500  1.0
  Sn  Sn3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.245  0.245  0.500  1.0
  O  O5  1  0.755  0.755  0.500  1.0
  O  O6  1  0.755  0.245  0.500  1.0
  O  O7  1  0.245  0.755  0.500  1.0
  O  O8  1  0.500  0.500  0.000  1.0
  O  O9  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Sr2SnFeO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to two equivalent O(2), two equivalent O(3), and eight equivalent O(1) 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 Fe(1)O6 octahedra, and faces with four equivalent Sn(1)O6 octahedra. Fe(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Sn(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Sn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SnO6 octahedra that share corners with two equivalent Sn(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Fe(1), and one Sn(1) atom to form distorted OSr4FeSn octahedra that share corners with four equivalent O(3)Sr4Fe2 octahedra, corners with four equivalent O(2)Sr4Sn2 octahedra, corners with fourteen equivalent O(1)Sr4FeSn octahedra, edges with four equivalent O(1)Sr4FeSn octahedra, faces with two equivalent O(3)Sr4Fe2 octahedra, faces with two equivalent O(2)Sr4Sn2 octahedra, and faces with four equivalent O(1)Sr4FeSn octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Sn(1) atoms to form distorted OSr4Sn2 octahedra that share corners with six equivalent O(2)Sr4Sn2 octahedra, corners with sixteen equivalent O(1)Sr4FeSn octahedra, edges with four equivalent O(3)Sr4Fe2 octahedra, and faces with eight equivalent O(1)Sr4FeSn octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the third O site, O(3) is bonded to four equivalent Sr(1) and two equivalent Fe(1) atoms to form distorted OSr4Fe2 octahedra that share corners with six equivalent O(3)Sr4Fe2 octahedra, corners with sixteen equivalent O(1)Sr4FeSn octahedra, edges with four equivalent O(2)Sr4Sn2 octahedra, and faces with eight equivalent O(1)Sr4FeSn octahedra. The corner-sharing octahedral tilt angles range from 0-59°. is represented by the CIF card [CIF]
data_Sr2FeSnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.690
_cell_length_b   5.690
_cell_length_c   4.036
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   130.699
_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  0.500  0.000  0.000  1.0
  Sr  Sr1  1  0.000  0.500  0.000  1.0
  Fe  Fe2  1  0.000  0.000  0.500  1.0
  Sn  Sn3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.245  0.245  0.500  1.0
  O  O5  1  0.755  0.755  0.500  1.0
  O  O6  1  0.755  0.245  0.500  1.0
  O  O7  1  0.245  0.755  0.500  1.0
  O  O8  1  0.500  0.500  0.000  1.0
  O  O9  1  0.000  0.000  0.000  1.0
[/CIF]
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