The material described by FeSbO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmm2 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with four equivalent Sb(2)O6 octahedra, corners with four equivalent Sb(3)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with four equivalent Fe(3)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, and  an edgeedge with one Sb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. In the third Fe site, Fe(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with four equivalent Fe(2)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form SbO6 octahedra that share corners with four equivalent Fe(2)O6 octahedra, corners with four equivalent Sb(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. In the second Sb site, Sb(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form SbO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(3)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Sb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. In the third Sb site, Sb(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form SbO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(1), one Sb(2), and one Sb(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Sb(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Sb(2) 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(3) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(2), one Sb(1), and one Sb(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Sb(2) atom. is represented by the CIF card [CIF]
data_FeSbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.612
_cell_length_b   4.612
_cell_length_c   9.167
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.441
_symmetry_Int_Tables_number   1
_cell_volume   194.954
_cell_formula_units_Z   3
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  0.500  0.153  1.0
  Fe  Fe1  1  0.000  0.000  0.676  1.0
  Fe  Fe2  1  0.500  0.500  0.834  1.0
  Sb  Sb3  1  0.500  0.500  0.508  1.0
  Sb  Sb4  1  0.000  0.000  0.992  1.0
  Sb  Sb5  1  0.000  0.000  0.334  1.0
  O  O6  1  0.192  0.808  0.166  1.0
  O  O7  1  0.808  0.192  0.166  1.0
  O  O8  1  0.308  0.308  0.672  1.0
  O  O9  1  0.692  0.692  0.672  1.0
  O  O10  1  0.796  0.204  0.834  1.0
  O  O11  1  0.204  0.796  0.834  1.0
  O  O12  1  0.694  0.694  0.337  1.0
  O  O13  1  0.306  0.306  0.337  1.0
  O  O14  1  0.195  0.805  0.498  1.0
  O  O15  1  0.805  0.195  0.498  1.0
  O  O16  1  0.304  0.304  0.996  1.0
  O  O17  1  0.696  0.696  0.996  1.0
[/CIF]
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The material described by FeSbO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmm2 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with four equivalent Sb(2)O6 octahedra, corners with four equivalent Sb(3)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with four equivalent Fe(3)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, and  an edgeedge with one Sb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. In the third Fe site, Fe(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with four equivalent Fe(2)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form SbO6 octahedra that share corners with four equivalent Fe(2)O6 octahedra, corners with four equivalent Sb(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. In the second Sb site, Sb(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form SbO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(3)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Sb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. In the third Sb site, Sb(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form SbO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(1), one Sb(2), and one Sb(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Sb(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Sb(2) 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(3) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(2), one Sb(1), and one Sb(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Sb(2) atom. is represented by the CIF card [CIF]
data_FeSbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.612
_cell_length_b   4.612
_cell_length_c   9.167
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.441
_symmetry_Int_Tables_number   1
_cell_volume   194.954
_cell_formula_units_Z   3
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  0.500  0.153  1.0
  Fe  Fe1  1  0.000  0.000  0.676  1.0
  Fe  Fe2  1  0.500  0.500  0.834  1.0
  Sb  Sb3  1  0.500  0.500  0.508  1.0
  Sb  Sb4  1  0.000  0.000  0.992  1.0
  Sb  Sb5  1  0.000  0.000  0.334  1.0
  O  O6  1  0.192  0.808  0.166  1.0
  O  O7  1  0.808  0.192  0.166  1.0
  O  O8  1  0.308  0.308  0.672  1.0
  O  O9  1  0.692  0.692  0.672  1.0
  O  O10  1  0.796  0.204  0.834  1.0
  O  O11  1  0.204  0.796  0.834  1.0
  O  O12  1  0.694  0.694  0.337  1.0
  O  O13  1  0.306  0.306  0.337  1.0
  O  O14  1  0.195  0.805  0.498  1.0
  O  O15  1  0.805  0.195  0.498  1.0
  O  O16  1  0.304  0.304  0.996  1.0
  O  O17  1  0.696  0.696  0.996  1.0
[/CIF]
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