The structure described by FeSnO3 is Ilmenite structured and crystallizes in the triclinic P-1 space group. Fe(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. Sn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing SnO6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1) and two equivalent Sn(1) atoms. In the second O site, O(2) is bonded to two equivalent Fe(1) and two equivalent Sn(1) atoms to form edge-sharing OFe2Sn2 trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Fe(1) and two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeSnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.258
_cell_length_b   5.279
_cell_length_c   5.472
_cell_angle_alpha   87.393
_cell_angle_beta   65.189
_cell_angle_gamma   60.868
_symmetry_Int_Tables_number   1
_cell_volume   117.981
_cell_formula_units_Z   2
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  0.221  0.401  0.072  1.0
  Fe  Fe1  1  0.779  0.599  0.928  1.0
  O  O2  1  0.152  0.089  0.269  1.0
  O  O3  1  0.848  0.911  0.731  1.0
  O  O4  1  0.491  0.465  0.250  1.0
  O  O5  1  0.509  0.535  0.750  1.0
  O  O6  1  0.230  0.218  0.731  1.0
  O  O7  1  0.770  0.782  0.269  1.0
  Sn  Sn8  1  0.694  0.158  0.457  1.0
  Sn  Sn9  1  0.306  0.842  0.543  1.0
[/CIF]
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The structure described by FeSnO3 is Ilmenite structured and crystallizes in the triclinic P-1 space group. Fe(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. Sn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing SnO6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1) and two equivalent Sn(1) atoms. In the second O site, O(2) is bonded to two equivalent Fe(1) and two equivalent Sn(1) atoms to form edge-sharing OFe2Sn2 trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Fe(1) and two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeSnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.258
_cell_length_b   5.279
_cell_length_c   5.472
_cell_angle_alpha   87.393
_cell_angle_beta   65.189
_cell_angle_gamma   60.868
_symmetry_Int_Tables_number   1
_cell_volume   117.981
_cell_formula_units_Z   2
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  0.221  0.401  0.072  1.0
  Fe  Fe1  1  0.779  0.599  0.928  1.0
  O  O2  1  0.152  0.089  0.269  1.0
  O  O3  1  0.848  0.911  0.731  1.0
  O  O4  1  0.491  0.465  0.250  1.0
  O  O5  1  0.509  0.535  0.750  1.0
  O  O6  1  0.230  0.218  0.731  1.0
  O  O7  1  0.770  0.782  0.269  1.0
  Sn  Sn8  1  0.694  0.158  0.457  1.0
  Sn  Sn9  1  0.306  0.842  0.543  1.0
[/CIF]
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