The material described by Y2FeSbO7 crystallizes in the orthorhombic Imma space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent O(1), two equivalent O(4), and four equivalent O(3) atoms to form distorted YO8 hexagonal bipyramids that share edges with two equivalent Y(1)O8 hexagonal bipyramids, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. In the second Y site, Y(2) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(3) atoms. Fe(1) is bonded to two equivalent O(2) and four equivalent O(3) 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 Y(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 51-53°. Sb(1) is bonded to two equivalent O(1) and four equivalent O(3) 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 Y(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 48-51°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Y(1) and two equivalent Sb(1) atoms to form distorted OY2Sb2 tetrahedra that share corners with two equivalent O(4)Y4 tetrahedra, corners with four equivalent O(1)Y2Sb2 tetrahedra, corners with eight equivalent O(3)Y2FeSb tetrahedra,  an edgeedge with one O(4)Y4 tetrahedra, and edges with four equivalent O(3)Y2FeSb tetrahedra. In the second O site, O(2) is bonded to two equivalent Y(2) and two equivalent Fe(1) atoms to form distorted OY2Fe2 tetrahedra that share corners with two equivalent O(4)Y4 tetrahedra, corners with four equivalent O(2)Y2Fe2 tetrahedra, corners with eight equivalent O(3)Y2FeSb tetrahedra,  an edgeedge with one O(4)Y4 tetrahedra, and edges with four equivalent O(3)Y2FeSb tetrahedra. In the third O site, O(3) is bonded to one Y(1), one Y(2), one Fe(1), and one Sb(1) atom to form distorted OY2FeSb tetrahedra that share corners with two equivalent O(2)Y2Fe2 tetrahedra, corners with two equivalent O(1)Y2Sb2 tetrahedra, corners with two equivalent O(4)Y4 tetrahedra, corners with eight equivalent O(3)Y2FeSb tetrahedra,  an edgeedge with one O(2)Y2Fe2 tetrahedra,  an edgeedge with one O(1)Y2Sb2 tetrahedra,  an edgeedge with one O(4)Y4 tetrahedra, and edges with two equivalent O(3)Y2FeSb tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Y(1) and two equivalent Y(2) atoms to form OY4 tetrahedra that share corners with two equivalent O(2)Y2Fe2 tetrahedra, corners with two equivalent O(1)Y2Sb2 tetrahedra, corners with four equivalent O(4)Y4 tetrahedra, corners with eight equivalent O(3)Y2FeSb tetrahedra,  an edgeedge with one O(2)Y2Fe2 tetrahedra,  an edgeedge with one O(1)Y2Sb2 tetrahedra, and edges with four equivalent O(3)Y2FeSb tetrahedra. is represented by the CIF file [CIF]
data_Y2FeSbO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.310
_cell_length_b   7.310
_cell_length_c   7.310
_cell_angle_alpha   120.171
_cell_angle_beta   119.550
_cell_angle_gamma   90.242
_symmetry_Int_Tables_number   1
_cell_volume   276.722
_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
  Y  Y0  1  0.500  0.000  0.000  1.0
  Y  Y1  1  0.500  0.500  0.500  1.0
  Y  Y2  1  0.500  0.000  0.500  1.0
  Y  Y3  1  0.000  0.000  0.000  1.0
  Fe  Fe4  1  0.000  0.500  0.000  1.0
  Fe  Fe5  1  0.000  0.000  0.500  1.0
  Sb  Sb6  1  0.000  0.500  0.500  1.0
  Sb  Sb7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.330  0.580  0.750  1.0
  O  O9  1  0.912  0.162  0.750  1.0
  O  O10  1  0.338  0.170  0.760  1.0
  O  O11  1  0.910  0.579  0.740  1.0
  O  O12  1  0.338  0.579  0.169  1.0
  O  O13  1  0.910  0.170  0.331  1.0
  O  O14  1  0.670  0.420  0.250  1.0
  O  O15  1  0.088  0.838  0.250  1.0
  O  O16  1  0.662  0.830  0.240  1.0
  O  O17  1  0.090  0.421  0.260  1.0
  O  O18  1  0.662  0.421  0.831  1.0
  O  O19  1  0.090  0.830  0.669  1.0
  O  O20  1  0.623  0.873  0.750  1.0
  O  O21  1  0.377  0.127  0.250  1.0
[/CIF]
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The material described by Y2FeSbO7 crystallizes in the orthorhombic Imma space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent O(1), two equivalent O(4), and four equivalent O(3) atoms to form distorted YO8 hexagonal bipyramids that share edges with two equivalent Y(1)O8 hexagonal bipyramids, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. In the second Y site, Y(2) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(3) atoms. Fe(1) is bonded to two equivalent O(2) and four equivalent O(3) 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 Y(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 51-53°. Sb(1) is bonded to two equivalent O(1) and four equivalent O(3) 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 Y(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 48-51°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Y(1) and two equivalent Sb(1) atoms to form distorted OY2Sb2 tetrahedra that share corners with two equivalent O(4)Y4 tetrahedra, corners with four equivalent O(1)Y2Sb2 tetrahedra, corners with eight equivalent O(3)Y2FeSb tetrahedra,  an edgeedge with one O(4)Y4 tetrahedra, and edges with four equivalent O(3)Y2FeSb tetrahedra. In the second O site, O(2) is bonded to two equivalent Y(2) and two equivalent Fe(1) atoms to form distorted OY2Fe2 tetrahedra that share corners with two equivalent O(4)Y4 tetrahedra, corners with four equivalent O(2)Y2Fe2 tetrahedra, corners with eight equivalent O(3)Y2FeSb tetrahedra,  an edgeedge with one O(4)Y4 tetrahedra, and edges with four equivalent O(3)Y2FeSb tetrahedra. In the third O site, O(3) is bonded to one Y(1), one Y(2), one Fe(1), and one Sb(1) atom to form distorted OY2FeSb tetrahedra that share corners with two equivalent O(2)Y2Fe2 tetrahedra, corners with two equivalent O(1)Y2Sb2 tetrahedra, corners with two equivalent O(4)Y4 tetrahedra, corners with eight equivalent O(3)Y2FeSb tetrahedra,  an edgeedge with one O(2)Y2Fe2 tetrahedra,  an edgeedge with one O(1)Y2Sb2 tetrahedra,  an edgeedge with one O(4)Y4 tetrahedra, and edges with two equivalent O(3)Y2FeSb tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Y(1) and two equivalent Y(2) atoms to form OY4 tetrahedra that share corners with two equivalent O(2)Y2Fe2 tetrahedra, corners with two equivalent O(1)Y2Sb2 tetrahedra, corners with four equivalent O(4)Y4 tetrahedra, corners with eight equivalent O(3)Y2FeSb tetrahedra,  an edgeedge with one O(2)Y2Fe2 tetrahedra,  an edgeedge with one O(1)Y2Sb2 tetrahedra, and edges with four equivalent O(3)Y2FeSb tetrahedra. is represented by the CIF file [CIF]
data_Y2FeSbO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.310
_cell_length_b   7.310
_cell_length_c   7.310
_cell_angle_alpha   120.171
_cell_angle_beta   119.550
_cell_angle_gamma   90.242
_symmetry_Int_Tables_number   1
_cell_volume   276.722
_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
  Y  Y0  1  0.500  0.000  0.000  1.0
  Y  Y1  1  0.500  0.500  0.500  1.0
  Y  Y2  1  0.500  0.000  0.500  1.0
  Y  Y3  1  0.000  0.000  0.000  1.0
  Fe  Fe4  1  0.000  0.500  0.000  1.0
  Fe  Fe5  1  0.000  0.000  0.500  1.0
  Sb  Sb6  1  0.000  0.500  0.500  1.0
  Sb  Sb7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.330  0.580  0.750  1.0
  O  O9  1  0.912  0.162  0.750  1.0
  O  O10  1  0.338  0.170  0.760  1.0
  O  O11  1  0.910  0.579  0.740  1.0
  O  O12  1  0.338  0.579  0.169  1.0
  O  O13  1  0.910  0.170  0.331  1.0
  O  O14  1  0.670  0.420  0.250  1.0
  O  O15  1  0.088  0.838  0.250  1.0
  O  O16  1  0.662  0.830  0.240  1.0
  O  O17  1  0.090  0.421  0.260  1.0
  O  O18  1  0.662  0.421  0.831  1.0
  O  O19  1  0.090  0.830  0.669  1.0
  O  O20  1  0.623  0.873  0.750  1.0
  O  O21  1  0.377  0.127  0.250  1.0
[/CIF]
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