The material described by In2FeSbO7 crystallizes in the orthorhombic Imma space group. Fe(1) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, and edges with two equivalent In(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 52-60°. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent O(1), two equivalent O(2), and four equivalent O(4) atoms to form distorted InO8 hexagonal bipyramids that share edges with two equivalent In(1)O8 hexagonal bipyramids, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. In the second In site, In(2) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(4) atoms. Sb(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form SbO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, and edges with four equivalent In(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 46-52°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent In(1) and two equivalent In(2) atoms to form OIn4 tetrahedra that share corners with two equivalent O(3)In2Fe2 tetrahedra, corners with four equivalent O(1)In4 tetrahedra, corners with eight equivalent O(4)In2FeSb tetrahedra,  an edgeedge with one O(3)In2Fe2 tetrahedra, and edges with four equivalent O(4)In2FeSb tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent In(1) and two equivalent Sb(1) atoms. In the third O site, O(3) is bonded to two equivalent Fe(1) and two equivalent In(2) atoms to form OIn2Fe2 tetrahedra that share corners with two equivalent O(1)In4 tetrahedra, corners with four equivalent O(3)In2Fe2 tetrahedra, corners with eight equivalent O(4)In2FeSb tetrahedra,  an edgeedge with one O(1)In4 tetrahedra, and edges with four equivalent O(4)In2FeSb tetrahedra. In the fourth O site, O(4) is bonded to one Fe(1), one In(1), one In(2), and one Sb(1) atom to form distorted OIn2FeSb tetrahedra that share corners with two equivalent O(3)In2Fe2 tetrahedra, corners with two equivalent O(1)In4 tetrahedra, corners with eight equivalent O(4)In2FeSb tetrahedra,  an edgeedge with one O(3)In2Fe2 tetrahedra,  an edgeedge with one O(1)In4 tetrahedra, and edges with two equivalent O(4)In2FeSb tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_In2FeSbO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.221
_cell_length_b   7.221
_cell_length_c   7.221
_cell_angle_alpha   120.131
_cell_angle_beta   119.574
_cell_angle_gamma   90.256
_symmetry_Int_Tables_number   1
_cell_volume   266.857
_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
  In  In0  1  0.000  0.000  0.500  1.0
  In  In1  1  0.000  0.500  0.000  1.0
  In  In2  1  0.000  0.000  0.000  1.0
  In  In3  1  0.500  0.000  0.500  1.0
  Fe  Fe4  1  0.500  0.500  0.500  1.0
  Fe  Fe5  1  0.500  0.000  0.000  1.0
  Sb  Sb6  1  0.500  0.500  0.000  1.0
  Sb  Sb7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.117  0.867  0.250  1.0
  O  O9  1  0.883  0.133  0.750  1.0
  O  O10  1  0.827  0.577  0.250  1.0
  O  O11  1  0.398  0.148  0.250  1.0
  O  O12  1  0.839  0.167  0.262  1.0
  O  O13  1  0.405  0.576  0.238  1.0
  O  O14  1  0.839  0.576  0.672  1.0
  O  O15  1  0.405  0.167  0.828  1.0
  O  O16  1  0.173  0.423  0.750  1.0
  O  O17  1  0.602  0.852  0.750  1.0
  O  O18  1  0.161  0.833  0.738  1.0
  O  O19  1  0.595  0.424  0.762  1.0
  O  O20  1  0.161  0.424  0.328  1.0
  O  O21  1  0.595  0.833  0.172  1.0
[/CIF]
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The material described by In2FeSbO7 crystallizes in the orthorhombic Imma space group. Fe(1) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, and edges with two equivalent In(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 52-60°. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent O(1), two equivalent O(2), and four equivalent O(4) atoms to form distorted InO8 hexagonal bipyramids that share edges with two equivalent In(1)O8 hexagonal bipyramids, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. In the second In site, In(2) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(4) atoms. Sb(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form SbO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, and edges with four equivalent In(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 46-52°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent In(1) and two equivalent In(2) atoms to form OIn4 tetrahedra that share corners with two equivalent O(3)In2Fe2 tetrahedra, corners with four equivalent O(1)In4 tetrahedra, corners with eight equivalent O(4)In2FeSb tetrahedra,  an edgeedge with one O(3)In2Fe2 tetrahedra, and edges with four equivalent O(4)In2FeSb tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent In(1) and two equivalent Sb(1) atoms. In the third O site, O(3) is bonded to two equivalent Fe(1) and two equivalent In(2) atoms to form OIn2Fe2 tetrahedra that share corners with two equivalent O(1)In4 tetrahedra, corners with four equivalent O(3)In2Fe2 tetrahedra, corners with eight equivalent O(4)In2FeSb tetrahedra,  an edgeedge with one O(1)In4 tetrahedra, and edges with four equivalent O(4)In2FeSb tetrahedra. In the fourth O site, O(4) is bonded to one Fe(1), one In(1), one In(2), and one Sb(1) atom to form distorted OIn2FeSb tetrahedra that share corners with two equivalent O(3)In2Fe2 tetrahedra, corners with two equivalent O(1)In4 tetrahedra, corners with eight equivalent O(4)In2FeSb tetrahedra,  an edgeedge with one O(3)In2Fe2 tetrahedra,  an edgeedge with one O(1)In4 tetrahedra, and edges with two equivalent O(4)In2FeSb tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_In2FeSbO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.221
_cell_length_b   7.221
_cell_length_c   7.221
_cell_angle_alpha   120.131
_cell_angle_beta   119.574
_cell_angle_gamma   90.256
_symmetry_Int_Tables_number   1
_cell_volume   266.857
_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
  In  In0  1  0.000  0.000  0.500  1.0
  In  In1  1  0.000  0.500  0.000  1.0
  In  In2  1  0.000  0.000  0.000  1.0
  In  In3  1  0.500  0.000  0.500  1.0
  Fe  Fe4  1  0.500  0.500  0.500  1.0
  Fe  Fe5  1  0.500  0.000  0.000  1.0
  Sb  Sb6  1  0.500  0.500  0.000  1.0
  Sb  Sb7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.117  0.867  0.250  1.0
  O  O9  1  0.883  0.133  0.750  1.0
  O  O10  1  0.827  0.577  0.250  1.0
  O  O11  1  0.398  0.148  0.250  1.0
  O  O12  1  0.839  0.167  0.262  1.0
  O  O13  1  0.405  0.576  0.238  1.0
  O  O14  1  0.839  0.576  0.672  1.0
  O  O15  1  0.405  0.167  0.828  1.0
  O  O16  1  0.173  0.423  0.750  1.0
  O  O17  1  0.602  0.852  0.750  1.0
  O  O18  1  0.161  0.833  0.738  1.0
  O  O19  1  0.595  0.424  0.762  1.0
  O  O20  1  0.161  0.424  0.328  1.0
  O  O21  1  0.595  0.833  0.172  1.0
[/CIF]
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