The material structure described by FeSb2O4 crystallizes in the tetragonal P4_2/m space group. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted edge-sharing FeO6 octahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(3) atoms. In the second Sb site, Sb(2) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Fe(1) and one Sb(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Fe(1) and one Sb(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Fe(1), one Sb(2), and two equivalent Sb(1) atoms. is represented by the CIF file [CIF]
data_Fe(SbO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.572
_cell_length_b   8.572
_cell_length_c   6.614
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   485.980
_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  0.500  0.000  0.761  1.0
  Fe  Fe1  1  0.000  0.500  0.739  1.0
  Fe  Fe2  1  0.500  0.000  0.239  1.0
  Fe  Fe3  1  0.000  0.500  0.261  1.0
  Sb  Sb4  1  0.308  0.439  0.000  1.0
  Sb  Sb5  1  0.180  0.796  0.000  1.0
  Sb  Sb6  1  0.204  0.180  0.500  1.0
  Sb  Sb7  1  0.820  0.204  0.000  1.0
  Sb  Sb8  1  0.561  0.308  0.500  1.0
  Sb  Sb9  1  0.439  0.692  0.500  1.0
  Sb  Sb10  1  0.692  0.561  0.000  1.0
  Sb  Sb11  1  0.796  0.820  0.500  1.0
  O  O12  1  0.106  0.384  0.500  1.0
  O  O13  1  0.907  0.634  0.000  1.0
  O  O14  1  0.384  0.894  0.000  1.0
  O  O15  1  0.623  0.765  0.701  1.0
  O  O16  1  0.623  0.765  0.299  1.0
  O  O17  1  0.093  0.366  0.000  1.0
  O  O18  1  0.366  0.907  0.500  1.0
  O  O19  1  0.377  0.235  0.299  1.0
  O  O20  1  0.377  0.235  0.701  1.0
  O  O21  1  0.765  0.377  0.201  1.0
  O  O22  1  0.894  0.616  0.500  1.0
  O  O23  1  0.235  0.623  0.201  1.0
  O  O24  1  0.765  0.377  0.799  1.0
  O  O25  1  0.634  0.093  0.500  1.0
  O  O26  1  0.616  0.106  0.000  1.0
  O  O27  1  0.235  0.623  0.799  1.0
[/CIF]
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The material structure described by FeSb2O4 crystallizes in the tetragonal P4_2/m space group. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted edge-sharing FeO6 octahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(3) atoms. In the second Sb site, Sb(2) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Fe(1) and one Sb(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Fe(1) and one Sb(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Fe(1), one Sb(2), and two equivalent Sb(1) atoms. is represented by the CIF file [CIF]
data_Fe(SbO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.572
_cell_length_b   8.572
_cell_length_c   6.614
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   485.980
_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  0.500  0.000  0.761  1.0
  Fe  Fe1  1  0.000  0.500  0.739  1.0
  Fe  Fe2  1  0.500  0.000  0.239  1.0
  Fe  Fe3  1  0.000  0.500  0.261  1.0
  Sb  Sb4  1  0.308  0.439  0.000  1.0
  Sb  Sb5  1  0.180  0.796  0.000  1.0
  Sb  Sb6  1  0.204  0.180  0.500  1.0
  Sb  Sb7  1  0.820  0.204  0.000  1.0
  Sb  Sb8  1  0.561  0.308  0.500  1.0
  Sb  Sb9  1  0.439  0.692  0.500  1.0
  Sb  Sb10  1  0.692  0.561  0.000  1.0
  Sb  Sb11  1  0.796  0.820  0.500  1.0
  O  O12  1  0.106  0.384  0.500  1.0
  O  O13  1  0.907  0.634  0.000  1.0
  O  O14  1  0.384  0.894  0.000  1.0
  O  O15  1  0.623  0.765  0.701  1.0
  O  O16  1  0.623  0.765  0.299  1.0
  O  O17  1  0.093  0.366  0.000  1.0
  O  O18  1  0.366  0.907  0.500  1.0
  O  O19  1  0.377  0.235  0.299  1.0
  O  O20  1  0.377  0.235  0.701  1.0
  O  O21  1  0.765  0.377  0.201  1.0
  O  O22  1  0.894  0.616  0.500  1.0
  O  O23  1  0.235  0.623  0.201  1.0
  O  O24  1  0.765  0.377  0.799  1.0
  O  O25  1  0.634  0.093  0.500  1.0
  O  O26  1  0.616  0.106  0.000  1.0
  O  O27  1  0.235  0.623  0.799  1.0
[/CIF]
.