The material structure described by Fe5SnO8 is Spinel-like structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2) and three equivalent O(1) atoms to form FeO4 tetrahedra that share corners with three equivalent Sn(1)O6 octahedra and corners with nine equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-57°. In the second Fe site, Fe(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Sn(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. Sn(1) is bonded to six equivalent O(1) atoms to form SnO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra and edges with six equivalent Fe(2)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Fe(1), two equivalent Fe(2), and one Sn(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1) and three equivalent Fe(2) atoms. is represented by the CIF card [CIF]
data_Fe5SnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.224
_cell_length_b   6.224
_cell_length_c   6.224
_cell_angle_alpha   58.826
_cell_angle_beta   58.826
_cell_angle_gamma   58.826
_symmetry_Int_Tables_number   1
_cell_volume   165.954
_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  0.871  0.871  0.871  1.0
  Fe  Fe1  1  0.129  0.129  0.129  1.0
  Fe  Fe2  1  0.000  0.500  0.500  1.0
  Fe  Fe3  1  0.500  0.000  0.500  1.0
  Fe  Fe4  1  0.500  0.500  0.000  1.0
  Sn  Sn5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.259  0.259  0.739  1.0
  O  O7  1  0.259  0.739  0.259  1.0
  O  O8  1  0.739  0.259  0.259  1.0
  O  O9  1  0.253  0.253  0.253  1.0
  O  O10  1  0.747  0.747  0.747  1.0
  O  O11  1  0.261  0.741  0.741  1.0
  O  O12  1  0.741  0.261  0.741  1.0
  O  O13  1  0.741  0.741  0.261  1.0
[/CIF]
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The material structure described by Fe5SnO8 is Spinel-like structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2) and three equivalent O(1) atoms to form FeO4 tetrahedra that share corners with three equivalent Sn(1)O6 octahedra and corners with nine equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-57°. In the second Fe site, Fe(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Sn(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. Sn(1) is bonded to six equivalent O(1) atoms to form SnO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra and edges with six equivalent Fe(2)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Fe(1), two equivalent Fe(2), and one Sn(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1) and three equivalent Fe(2) atoms. is represented by the CIF card [CIF]
data_Fe5SnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.224
_cell_length_b   6.224
_cell_length_c   6.224
_cell_angle_alpha   58.826
_cell_angle_beta   58.826
_cell_angle_gamma   58.826
_symmetry_Int_Tables_number   1
_cell_volume   165.954
_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  0.871  0.871  0.871  1.0
  Fe  Fe1  1  0.129  0.129  0.129  1.0
  Fe  Fe2  1  0.000  0.500  0.500  1.0
  Fe  Fe3  1  0.500  0.000  0.500  1.0
  Fe  Fe4  1  0.500  0.500  0.000  1.0
  Sn  Sn5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.259  0.259  0.739  1.0
  O  O7  1  0.259  0.739  0.259  1.0
  O  O8  1  0.739  0.259  0.259  1.0
  O  O9  1  0.253  0.253  0.253  1.0
  O  O10  1  0.747  0.747  0.747  1.0
  O  O11  1  0.261  0.741  0.741  1.0
  O  O12  1  0.741  0.261  0.741  1.0
  O  O13  1  0.741  0.741  0.261  1.0
[/CIF]
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