The material described by FeSb2O4 crystallizes in the monoclinic C2 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(3), two equivalent O(7), and two equivalent O(9) atoms to form edge-sharing FeO6 octahedra. In the second Fe site, Fe(2) is bonded to one O(4), one O(5), two equivalent O(10), and two equivalent O(8) atoms to form edge-sharing FeO6 octahedra. In the third Fe site, Fe(3) is bonded to one O(1), one O(6), two equivalent O(10), and two equivalent O(8) atoms to form edge-sharing FeO6 octahedra. In the fourth Fe site, Fe(4) is bonded to two equivalent O(2), two equivalent O(7), and two equivalent O(9) atoms to form edge-sharing FeO6 octahedra. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted T-shaped geometry to one O(10), one O(2), and one O(3) atom. In the second Sb site, Sb(2) is bonded in a distorted T-shaped geometry to one O(1), one O(4), and one O(9) atom. In the third Sb site, Sb(3) is bonded in a distorted T-shaped geometry to one O(2), one O(3), and one O(8) atom. In the fourth Sb site, Sb(4) is bonded in a distorted T-shaped geometry to one O(5), one O(6), and one O(7) atom. There are ten inequivalent O sites. In the first O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1), one Fe(4), and one Sb(4) atom. In the second O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Fe(2), one Fe(3), and one Sb(3) atom. In the third O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1), one Fe(4), and one Sb(2) atom. In the fourth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Fe(2), one Fe(3), and one Sb(1) atom. In the fifth O site, O(1) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Sb(2) atoms. In the sixth O site, O(2) is bonded in a trigonal planar geometry to one Fe(4), one Sb(1), and one Sb(3) atom. In the seventh O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), one Sb(1), and one Sb(3) atom. In the eighth O site, O(4) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Sb(2) atoms. In the ninth O site, O(5) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Sb(4) atoms. In the tenth O site, O(6) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Sb(4) atoms. is represented by the CIF file [CIF]
data_Fe(SbO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.850
_cell_length_b   8.595
_cell_length_c   8.595
_cell_angle_alpha   90.058
_cell_angle_beta   90.071
_cell_angle_gamma   89.930
_symmetry_Int_Tables_number   1
_cell_volume   432.133
_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  0.750  1.000  0.500  1.0
  Fe  Fe1  1  0.250  0.500  0.000  1.0
  Fe  Fe2  1  0.750  0.500  0.000  1.0
  Fe  Fe3  1  0.250  0.000  0.500  1.0
  Sb  Sb4  1  0.500  0.334  0.327  1.0
  Sb  Sb5  1  1.000  0.328  0.666  1.0
  Sb  Sb6  1  0.500  0.166  0.828  1.0
  Sb  Sb7  1  1.000  0.827  0.834  1.0
  Sb  Sb8  1  0.499  0.665  0.673  1.0
  Sb  Sb9  1  0.001  0.673  0.334  1.0
  Sb  Sb10  1  0.500  0.834  0.173  1.0
  Sb  Sb11  1  0.001  0.173  0.165  1.0
  O  O12  1  0.750  0.327  0.827  1.0
  O  O13  1  0.249  0.824  0.675  1.0
  O  O14  1  0.751  0.173  0.326  1.0
  O  O15  1  0.250  0.325  0.825  1.0
  O  O16  1  0.749  0.826  0.673  1.0
  O  O17  1  0.251  0.175  0.324  1.0
  O  O18  1  0.250  0.676  0.176  1.0
  O  O19  1  0.750  0.673  0.173  1.0
  O  O20  1  0.498  0.854  0.400  1.0
  O  O21  1  0.003  0.399  0.146  1.0
  O  O22  1  0.497  0.646  0.899  1.0
  O  O23  1  0.002  0.900  0.354  1.0
  O  O24  1  0.498  0.143  0.602  1.0
  O  O25  1  0.002  0.601  0.855  1.0
  O  O26  1  0.498  0.355  0.101  1.0
  O  O27  1  0.002  0.102  0.643  1.0
[/CIF]
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The material described by FeSb2O4 crystallizes in the monoclinic C2 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(3), two equivalent O(7), and two equivalent O(9) atoms to form edge-sharing FeO6 octahedra. In the second Fe site, Fe(2) is bonded to one O(4), one O(5), two equivalent O(10), and two equivalent O(8) atoms to form edge-sharing FeO6 octahedra. In the third Fe site, Fe(3) is bonded to one O(1), one O(6), two equivalent O(10), and two equivalent O(8) atoms to form edge-sharing FeO6 octahedra. In the fourth Fe site, Fe(4) is bonded to two equivalent O(2), two equivalent O(7), and two equivalent O(9) atoms to form edge-sharing FeO6 octahedra. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted T-shaped geometry to one O(10), one O(2), and one O(3) atom. In the second Sb site, Sb(2) is bonded in a distorted T-shaped geometry to one O(1), one O(4), and one O(9) atom. In the third Sb site, Sb(3) is bonded in a distorted T-shaped geometry to one O(2), one O(3), and one O(8) atom. In the fourth Sb site, Sb(4) is bonded in a distorted T-shaped geometry to one O(5), one O(6), and one O(7) atom. There are ten inequivalent O sites. In the first O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1), one Fe(4), and one Sb(4) atom. In the second O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Fe(2), one Fe(3), and one Sb(3) atom. In the third O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1), one Fe(4), and one Sb(2) atom. In the fourth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Fe(2), one Fe(3), and one Sb(1) atom. In the fifth O site, O(1) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Sb(2) atoms. In the sixth O site, O(2) is bonded in a trigonal planar geometry to one Fe(4), one Sb(1), and one Sb(3) atom. In the seventh O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), one Sb(1), and one Sb(3) atom. In the eighth O site, O(4) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Sb(2) atoms. In the ninth O site, O(5) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Sb(4) atoms. In the tenth O site, O(6) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Sb(4) atoms. is represented by the CIF file [CIF]
data_Fe(SbO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.850
_cell_length_b   8.595
_cell_length_c   8.595
_cell_angle_alpha   90.058
_cell_angle_beta   90.071
_cell_angle_gamma   89.930
_symmetry_Int_Tables_number   1
_cell_volume   432.133
_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  0.750  1.000  0.500  1.0
  Fe  Fe1  1  0.250  0.500  0.000  1.0
  Fe  Fe2  1  0.750  0.500  0.000  1.0
  Fe  Fe3  1  0.250  0.000  0.500  1.0
  Sb  Sb4  1  0.500  0.334  0.327  1.0
  Sb  Sb5  1  1.000  0.328  0.666  1.0
  Sb  Sb6  1  0.500  0.166  0.828  1.0
  Sb  Sb7  1  1.000  0.827  0.834  1.0
  Sb  Sb8  1  0.499  0.665  0.673  1.0
  Sb  Sb9  1  0.001  0.673  0.334  1.0
  Sb  Sb10  1  0.500  0.834  0.173  1.0
  Sb  Sb11  1  0.001  0.173  0.165  1.0
  O  O12  1  0.750  0.327  0.827  1.0
  O  O13  1  0.249  0.824  0.675  1.0
  O  O14  1  0.751  0.173  0.326  1.0
  O  O15  1  0.250  0.325  0.825  1.0
  O  O16  1  0.749  0.826  0.673  1.0
  O  O17  1  0.251  0.175  0.324  1.0
  O  O18  1  0.250  0.676  0.176  1.0
  O  O19  1  0.750  0.673  0.173  1.0
  O  O20  1  0.498  0.854  0.400  1.0
  O  O21  1  0.003  0.399  0.146  1.0
  O  O22  1  0.497  0.646  0.899  1.0
  O  O23  1  0.002  0.900  0.354  1.0
  O  O24  1  0.498  0.143  0.602  1.0
  O  O25  1  0.002  0.601  0.855  1.0
  O  O26  1  0.498  0.355  0.101  1.0
  O  O27  1  0.002  0.102  0.643  1.0
[/CIF]
.