The crystal structure described by FeSbO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with four equivalent Fe(2)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, and edges with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form SbO6 octahedra that share corners with four equivalent Fe(2)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the second Sb site, Sb(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form SbO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Sb(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(2), one Sb(1), and one Sb(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(1), one Sb(1), and one Sb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeSbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.507
_cell_length_b   5.507
_cell_length_c   5.507
_cell_angle_alpha   72.172
_cell_angle_beta   108.007
_cell_angle_gamma   67.374
_symmetry_Int_Tables_number   1
_cell_volume   128.291
_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  0.741  0.759  0.500  1.0
  Fe  Fe1  1  0.493  0.507  0.000  1.0
  Sb  Sb2  1  0.256  0.244  0.500  1.0
  Sb  Sb3  1  0.004  0.996  1.000  1.0
  O  O4  1  0.045  0.754  0.798  1.0
  O  O5  1  0.560  0.247  0.807  1.0
  O  O6  1  0.505  0.802  0.692  1.0
  O  O7  1  0.997  0.312  0.690  1.0
  O  O8  1  0.505  0.187  0.308  1.0
  O  O9  1  0.997  0.693  0.310  1.0
  O  O10  1  0.448  0.754  0.202  1.0
  O  O11  1  0.947  0.247  0.193  1.0
[/CIF]
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The crystal structure described by FeSbO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with four equivalent Fe(2)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, and edges with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form SbO6 octahedra that share corners with four equivalent Fe(2)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the second Sb site, Sb(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form SbO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Sb(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(2), one Sb(1), and one Sb(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(1), one Sb(1), and one Sb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeSbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.507
_cell_length_b   5.507
_cell_length_c   5.507
_cell_angle_alpha   72.172
_cell_angle_beta   108.007
_cell_angle_gamma   67.374
_symmetry_Int_Tables_number   1
_cell_volume   128.291
_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  0.741  0.759  0.500  1.0
  Fe  Fe1  1  0.493  0.507  0.000  1.0
  Sb  Sb2  1  0.256  0.244  0.500  1.0
  Sb  Sb3  1  0.004  0.996  1.000  1.0
  O  O4  1  0.045  0.754  0.798  1.0
  O  O5  1  0.560  0.247  0.807  1.0
  O  O6  1  0.505  0.802  0.692  1.0
  O  O7  1  0.997  0.312  0.690  1.0
  O  O8  1  0.505  0.187  0.308  1.0
  O  O9  1  0.997  0.693  0.310  1.0
  O  O10  1  0.448  0.754  0.202  1.0
  O  O11  1  0.947  0.247  0.193  1.0
[/CIF]
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