The crystal structure described by FeSnO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Fe(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. Sn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Fe(1) and two equivalent Sn(1) atoms to form distorted corner-sharing OFe2Sn2 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(1) and two equivalent Sn(1) atoms. is represented by the CIF card [CIF]
data_FeSnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.439
_cell_length_b   5.461
_cell_length_c   7.869
_cell_angle_alpha   89.997
_cell_angle_beta   90.001
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   233.752
_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
  Fe  Fe0  1  0.507  0.464  0.750  1.0
  Fe  Fe1  1  0.007  0.036  0.250  1.0
  Fe  Fe2  1  0.993  0.964  0.750  1.0
  Fe  Fe3  1  0.493  0.536  0.250  1.0
  Sn  Sn4  1  0.000  0.500  0.000  1.0
  Sn  Sn5  1  1.000  0.500  0.500  1.0
  Sn  Sn6  1  0.500  0.000  1.000  1.0
  Sn  Sn7  1  0.500  1.000  0.500  1.0
  O  O8  1  0.124  0.416  0.250  1.0
  O  O9  1  0.376  0.916  0.250  1.0
  O  O10  1  0.624  0.084  0.750  1.0
  O  O11  1  0.876  0.584  0.750  1.0
  O  O12  1  0.171  0.175  0.567  1.0
  O  O13  1  0.171  0.175  0.933  1.0
  O  O14  1  0.330  0.675  0.567  1.0
  O  O15  1  0.329  0.675  0.933  1.0
  O  O16  1  0.671  0.325  0.433  1.0
  O  O17  1  0.671  0.325  0.067  1.0
  O  O18  1  0.829  0.825  0.067  1.0
  O  O19  1  0.829  0.825  0.433  1.0
[/CIF]
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The crystal structure described by FeSnO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Fe(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. Sn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Fe(1) and two equivalent Sn(1) atoms to form distorted corner-sharing OFe2Sn2 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(1) and two equivalent Sn(1) atoms. is represented by the CIF card [CIF]
data_FeSnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.439
_cell_length_b   5.461
_cell_length_c   7.869
_cell_angle_alpha   89.997
_cell_angle_beta   90.001
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   233.752
_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
  Fe  Fe0  1  0.507  0.464  0.750  1.0
  Fe  Fe1  1  0.007  0.036  0.250  1.0
  Fe  Fe2  1  0.993  0.964  0.750  1.0
  Fe  Fe3  1  0.493  0.536  0.250  1.0
  Sn  Sn4  1  0.000  0.500  0.000  1.0
  Sn  Sn5  1  1.000  0.500  0.500  1.0
  Sn  Sn6  1  0.500  0.000  1.000  1.0
  Sn  Sn7  1  0.500  1.000  0.500  1.0
  O  O8  1  0.124  0.416  0.250  1.0
  O  O9  1  0.376  0.916  0.250  1.0
  O  O10  1  0.624  0.084  0.750  1.0
  O  O11  1  0.876  0.584  0.750  1.0
  O  O12  1  0.171  0.175  0.567  1.0
  O  O13  1  0.171  0.175  0.933  1.0
  O  O14  1  0.330  0.675  0.567  1.0
  O  O15  1  0.329  0.675  0.933  1.0
  O  O16  1  0.671  0.325  0.433  1.0
  O  O17  1  0.671  0.325  0.067  1.0
  O  O18  1  0.829  0.825  0.067  1.0
  O  O19  1  0.829  0.825  0.433  1.0
[/CIF]
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