The crystal structure described by Sr2SnFeO6 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Fmmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(6), one O(8), two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(5), and two equivalent O(9) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra; corners with eight equivalent Sr(2)O12 cuboctahedra; faces with two equivalent Sr(2)O12 cuboctahedra; faces with four equivalent Sr(1)O12 cuboctahedra; faces with two Fe(1,1)O6 octahedra; faces with two equivalent Fe(2)O6 octahedra; and faces with four equivalent Sn(1)O6 octahedra. In the second Sr site, Sr(2) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(4), two equivalent O(5), two equivalent O(7), and two equivalent O(9) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Fe(2)O6 octahedra, and faces with four equivalent Sn(1)O6 octahedra. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(7), one O(8), two equivalent O(2), and two equivalent O(9) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Fe site, Fe(2) is bonded to one O(6), one O(7), two equivalent O(1), and two equivalent O(9) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra; corners with two equivalent Sn(1)O6 octahedra; corners with three Fe(1,1)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 0-2°. In the third Fe site, Fe(1) is bonded to one O(7), one O(8), two equivalent O(2), and two equivalent O(9) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Sn(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form SnO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with four equivalent Sn(1)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 0-3°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Fe(2), and one Sn(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Fe(1), and one Sn(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Sn(1) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent Sr(2) and two equivalent Sn(1) atoms. In the fifth O site, O(5) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Sn(1) atoms. In the sixth O site, O(6) is bonded to four equivalent Sr(1) and two equivalent Fe(2) atoms to form a mixture of distorted corner, edge, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedra are not tilted. In the seventh O site, O(7) is bonded to four equivalent Sr(2), one Fe(1), and one Fe(2) atom to form a mixture of distorted corner, edge, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedra are not tilted. In the eighth O site, O(8) is bonded to four equivalent Sr(1) and two Fe(1,1) atoms to form a mixture of distorted corner, edge, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedra are not tilted. In the ninth O site, O(9) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Fe(1), and one Fe(2) atom to form a mixture of distorted corner, edge, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the CIF card [CIF]
data_Sr2FeSnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.037
_cell_length_b   4.051
_cell_length_c   7.998
_cell_angle_alpha   89.995
_cell_angle_beta   90.000
_cell_angle_gamma   90.004
_symmetry_Int_Tables_number   1
_cell_volume   130.793
_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  0.500  0.500  0.250  1.0
  O  O1  1  0.500  0.500  0.009  1.0
  O  O2  1  0.500  0.500  0.491  1.0
  O  O3  1  0.000  0.500  0.750  1.0
  O  O4  1  0.500  0.000  0.750  1.0
  O  O5  1  0.000  0.500  0.250  1.0
  O  O6  1  0.500  1.000  0.250  1.0
  Sn  Sn7  1  0.500  0.500  0.750  1.0
  Sr  Sr8  1  0.000  1.000  0.016  1.0
  Sr  Sr9  1  1.000  0.000  0.484  1.0
[/CIF]
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The crystal structure described by Sr2SnFeO6 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Fmmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(6), one O(8), two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(5), and two equivalent O(9) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra; corners with eight equivalent Sr(2)O12 cuboctahedra; faces with two equivalent Sr(2)O12 cuboctahedra; faces with four equivalent Sr(1)O12 cuboctahedra; faces with two Fe(1,1)O6 octahedra; faces with two equivalent Fe(2)O6 octahedra; and faces with four equivalent Sn(1)O6 octahedra. In the second Sr site, Sr(2) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(4), two equivalent O(5), two equivalent O(7), and two equivalent O(9) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Fe(2)O6 octahedra, and faces with four equivalent Sn(1)O6 octahedra. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(7), one O(8), two equivalent O(2), and two equivalent O(9) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Fe site, Fe(2) is bonded to one O(6), one O(7), two equivalent O(1), and two equivalent O(9) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra; corners with two equivalent Sn(1)O6 octahedra; corners with three Fe(1,1)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 0-2°. In the third Fe site, Fe(1) is bonded to one O(7), one O(8), two equivalent O(2), and two equivalent O(9) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Sn(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form SnO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with four equivalent Sn(1)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 0-3°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Fe(2), and one Sn(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Fe(1), and one Sn(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Sn(1) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent Sr(2) and two equivalent Sn(1) atoms. In the fifth O site, O(5) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Sn(1) atoms. In the sixth O site, O(6) is bonded to four equivalent Sr(1) and two equivalent Fe(2) atoms to form a mixture of distorted corner, edge, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedra are not tilted. In the seventh O site, O(7) is bonded to four equivalent Sr(2), one Fe(1), and one Fe(2) atom to form a mixture of distorted corner, edge, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedra are not tilted. In the eighth O site, O(8) is bonded to four equivalent Sr(1) and two Fe(1,1) atoms to form a mixture of distorted corner, edge, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedra are not tilted. In the ninth O site, O(9) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Fe(1), and one Fe(2) atom to form a mixture of distorted corner, edge, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the CIF card [CIF]
data_Sr2FeSnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.037
_cell_length_b   4.051
_cell_length_c   7.998
_cell_angle_alpha   89.995
_cell_angle_beta   90.000
_cell_angle_gamma   90.004
_symmetry_Int_Tables_number   1
_cell_volume   130.793
_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  0.500  0.500  0.250  1.0
  O  O1  1  0.500  0.500  0.009  1.0
  O  O2  1  0.500  0.500  0.491  1.0
  O  O3  1  0.000  0.500  0.750  1.0
  O  O4  1  0.500  0.000  0.750  1.0
  O  O5  1  0.000  0.500  0.250  1.0
  O  O6  1  0.500  1.000  0.250  1.0
  Sn  Sn7  1  0.500  0.500  0.750  1.0
  Sr  Sr8  1  0.000  1.000  0.016  1.0
  Sr  Sr9  1  1.000  0.000  0.484  1.0
[/CIF]
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