The material structure described by Nd2FeSbO7 crystallizes in the orthorhombic Imma space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to two equivalent O(1), two equivalent O(3), and four equivalent O(4) atoms to form distorted NdO8 hexagonal bipyramids that share edges with two equivalent Nd(1)O8 hexagonal bipyramids, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. In the second Nd site, Nd(2) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(4) atoms. Fe(1) is bonded to two equivalent O(2) 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 Nd(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 49-51°. Sb(1) is bonded to two equivalent O(3) 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 Nd(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 47-49°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Nd(1) and two equivalent Nd(2) atoms to form ONd4 tetrahedra that share corners with two equivalent O(2)Nd2Fe2 tetrahedra, corners with two equivalent O(3)Nd2Sb2 tetrahedra, corners with four equivalent O(1)Nd4 tetrahedra, corners with eight equivalent O(4)Nd2FeSb tetrahedra,  an edgeedge with one O(2)Nd2Fe2 tetrahedra,  an edgeedge with one O(3)Nd2Sb2 tetrahedra, and edges with four equivalent O(4)Nd2FeSb tetrahedra. In the second O site, O(2) is bonded to two equivalent Nd(2) and two equivalent Fe(1) atoms to form distorted ONd2Fe2 tetrahedra that share corners with two equivalent O(1)Nd4 tetrahedra, corners with four equivalent O(2)Nd2Fe2 tetrahedra, corners with eight equivalent O(4)Nd2FeSb tetrahedra,  an edgeedge with one O(1)Nd4 tetrahedra, and edges with four equivalent O(4)Nd2FeSb tetrahedra. In the third O site, O(3) is bonded to two equivalent Nd(1) and two equivalent Sb(1) atoms to form distorted ONd2Sb2 tetrahedra that share corners with two equivalent O(1)Nd4 tetrahedra, corners with four equivalent O(3)Nd2Sb2 tetrahedra, corners with eight equivalent O(4)Nd2FeSb tetrahedra,  an edgeedge with one O(1)Nd4 tetrahedra, and edges with four equivalent O(4)Nd2FeSb tetrahedra. In the fourth O site, O(4) is bonded to one Nd(1), one Nd(2), one Fe(1), and one Sb(1) atom to form distorted ONd2FeSb tetrahedra that share corners with two equivalent O(2)Nd2Fe2 tetrahedra, corners with two equivalent O(3)Nd2Sb2 tetrahedra, corners with two equivalent O(1)Nd4 tetrahedra, corners with eight equivalent O(4)Nd2FeSb tetrahedra,  an edgeedge with one O(2)Nd2Fe2 tetrahedra,  an edgeedge with one O(3)Nd2Sb2 tetrahedra,  an edgeedge with one O(1)Nd4 tetrahedra, and edges with two equivalent O(4)Nd2FeSb tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2FeSbO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.459
_cell_length_b   7.459
_cell_length_c   7.459
_cell_angle_alpha   120.274
_cell_angle_beta   119.645
_cell_angle_gamma   90.071
_symmetry_Int_Tables_number   1
_cell_volume   293.664
_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
  Nd  Nd0  1  0.000  0.000  0.500  1.0
  Nd  Nd1  1  0.000  0.500  0.000  1.0
  Nd  Nd2  1  0.000  0.000  0.000  1.0
  Nd  Nd3  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  0.124  0.874  0.250  1.0
  O  O9  1  0.876  0.126  0.750  1.0
  O  O10  1  0.417  0.167  0.250  1.0
  O  O11  1  0.827  0.577  0.250  1.0
  O  O12  1  0.415  0.575  0.240  1.0
  O  O13  1  0.835  0.175  0.260  1.0
  O  O14  1  0.415  0.175  0.840  1.0
  O  O15  1  0.835  0.575  0.660  1.0
  O  O16  1  0.583  0.833  0.750  1.0
  O  O17  1  0.173  0.423  0.750  1.0
  O  O18  1  0.585  0.425  0.760  1.0
  O  O19  1  0.165  0.825  0.740  1.0
  O  O20  1  0.585  0.825  0.160  1.0
  O  O21  1  0.165  0.425  0.340  1.0
[/CIF]
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The material structure described by Nd2FeSbO7 crystallizes in the orthorhombic Imma space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to two equivalent O(1), two equivalent O(3), and four equivalent O(4) atoms to form distorted NdO8 hexagonal bipyramids that share edges with two equivalent Nd(1)O8 hexagonal bipyramids, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. In the second Nd site, Nd(2) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(4) atoms. Fe(1) is bonded to two equivalent O(2) 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 Nd(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 49-51°. Sb(1) is bonded to two equivalent O(3) 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 Nd(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 47-49°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Nd(1) and two equivalent Nd(2) atoms to form ONd4 tetrahedra that share corners with two equivalent O(2)Nd2Fe2 tetrahedra, corners with two equivalent O(3)Nd2Sb2 tetrahedra, corners with four equivalent O(1)Nd4 tetrahedra, corners with eight equivalent O(4)Nd2FeSb tetrahedra,  an edgeedge with one O(2)Nd2Fe2 tetrahedra,  an edgeedge with one O(3)Nd2Sb2 tetrahedra, and edges with four equivalent O(4)Nd2FeSb tetrahedra. In the second O site, O(2) is bonded to two equivalent Nd(2) and two equivalent Fe(1) atoms to form distorted ONd2Fe2 tetrahedra that share corners with two equivalent O(1)Nd4 tetrahedra, corners with four equivalent O(2)Nd2Fe2 tetrahedra, corners with eight equivalent O(4)Nd2FeSb tetrahedra,  an edgeedge with one O(1)Nd4 tetrahedra, and edges with four equivalent O(4)Nd2FeSb tetrahedra. In the third O site, O(3) is bonded to two equivalent Nd(1) and two equivalent Sb(1) atoms to form distorted ONd2Sb2 tetrahedra that share corners with two equivalent O(1)Nd4 tetrahedra, corners with four equivalent O(3)Nd2Sb2 tetrahedra, corners with eight equivalent O(4)Nd2FeSb tetrahedra,  an edgeedge with one O(1)Nd4 tetrahedra, and edges with four equivalent O(4)Nd2FeSb tetrahedra. In the fourth O site, O(4) is bonded to one Nd(1), one Nd(2), one Fe(1), and one Sb(1) atom to form distorted ONd2FeSb tetrahedra that share corners with two equivalent O(2)Nd2Fe2 tetrahedra, corners with two equivalent O(3)Nd2Sb2 tetrahedra, corners with two equivalent O(1)Nd4 tetrahedra, corners with eight equivalent O(4)Nd2FeSb tetrahedra,  an edgeedge with one O(2)Nd2Fe2 tetrahedra,  an edgeedge with one O(3)Nd2Sb2 tetrahedra,  an edgeedge with one O(1)Nd4 tetrahedra, and edges with two equivalent O(4)Nd2FeSb tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2FeSbO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.459
_cell_length_b   7.459
_cell_length_c   7.459
_cell_angle_alpha   120.274
_cell_angle_beta   119.645
_cell_angle_gamma   90.071
_symmetry_Int_Tables_number   1
_cell_volume   293.664
_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
  Nd  Nd0  1  0.000  0.000  0.500  1.0
  Nd  Nd1  1  0.000  0.500  0.000  1.0
  Nd  Nd2  1  0.000  0.000  0.000  1.0
  Nd  Nd3  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  0.124  0.874  0.250  1.0
  O  O9  1  0.876  0.126  0.750  1.0
  O  O10  1  0.417  0.167  0.250  1.0
  O  O11  1  0.827  0.577  0.250  1.0
  O  O12  1  0.415  0.575  0.240  1.0
  O  O13  1  0.835  0.175  0.260  1.0
  O  O14  1  0.415  0.175  0.840  1.0
  O  O15  1  0.835  0.575  0.660  1.0
  O  O16  1  0.583  0.833  0.750  1.0
  O  O17  1  0.173  0.423  0.750  1.0
  O  O18  1  0.585  0.425  0.760  1.0
  O  O19  1  0.165  0.825  0.740  1.0
  O  O20  1  0.585  0.825  0.160  1.0
  O  O21  1  0.165  0.425  0.340  1.0
[/CIF]
.