The compound described by FeZn2SbO6 crystallizes in the monoclinic P2_1/m space group. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two 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 corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-44°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(1) atoms. In the second Zn site, Zn(2) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent Fe(1)O6 octahedra and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 66-84°. Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two 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 corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-46°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(1), one Zn(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Fe(1), one Zn(2), and one Sb(1) atom. In the third O site, O(3) is bonded to one Zn(1), one Zn(2), and two equivalent Sb(1) atoms to form OZn2Sb2 tetrahedra that share corners with two equivalent O(3)Zn2Sb2 tetrahedra and corners with two equivalent O(4)Zn2Fe2 trigonal pyramids. In the fourth O site, O(4) is bonded to two equivalent Fe(1), one Zn(1), and one Zn(2) atom to form distorted OZn2Fe2 trigonal pyramids that share corners with two equivalent O(3)Zn2Sb2 tetrahedra and corners with two equivalent O(4)Zn2Fe2 trigonal pyramids. is represented by the CIF file [CIF]
data_Zn2FeSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.739
_cell_length_b   5.269
_cell_length_c   5.335
_cell_angle_alpha   89.413
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   217.517
_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
  Zn  Zn0  1  0.750  0.481  0.559  1.0
  Zn  Zn1  1  0.250  0.519  0.441  1.0
  Zn  Zn2  1  0.750  0.978  0.019  1.0
  Zn  Zn3  1  0.250  0.022  0.981  1.0
  Fe  Fe4  1  0.500  0.500  0.000  1.0
  Fe  Fe5  1  0.000  0.500  0.000  1.0
  Sb  Sb6  1  0.500  0.000  0.500  1.0
  Sb  Sb7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.432  0.681  0.676  1.0
  O  O9  1  0.069  0.830  0.185  1.0
  O  O10  1  0.932  0.319  0.324  1.0
  O  O11  1  0.569  0.170  0.815  1.0
  O  O12  1  0.431  0.830  0.185  1.0
  O  O13  1  0.931  0.170  0.815  1.0
  O  O14  1  0.250  0.134  0.577  1.0
  O  O15  1  0.068  0.681  0.676  1.0
  O  O16  1  0.750  0.613  0.925  1.0
  O  O17  1  0.568  0.319  0.324  1.0
  O  O18  1  0.750  0.866  0.423  1.0
  O  O19  1  0.250  0.387  0.075  1.0
[/CIF]
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The compound described by FeZn2SbO6 crystallizes in the monoclinic P2_1/m space group. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two 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 corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-44°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(1) atoms. In the second Zn site, Zn(2) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent Fe(1)O6 octahedra and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 66-84°. Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two 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 corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-46°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(1), one Zn(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Fe(1), one Zn(2), and one Sb(1) atom. In the third O site, O(3) is bonded to one Zn(1), one Zn(2), and two equivalent Sb(1) atoms to form OZn2Sb2 tetrahedra that share corners with two equivalent O(3)Zn2Sb2 tetrahedra and corners with two equivalent O(4)Zn2Fe2 trigonal pyramids. In the fourth O site, O(4) is bonded to two equivalent Fe(1), one Zn(1), and one Zn(2) atom to form distorted OZn2Fe2 trigonal pyramids that share corners with two equivalent O(3)Zn2Sb2 tetrahedra and corners with two equivalent O(4)Zn2Fe2 trigonal pyramids. is represented by the CIF file [CIF]
data_Zn2FeSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.739
_cell_length_b   5.269
_cell_length_c   5.335
_cell_angle_alpha   89.413
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   217.517
_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
  Zn  Zn0  1  0.750  0.481  0.559  1.0
  Zn  Zn1  1  0.250  0.519  0.441  1.0
  Zn  Zn2  1  0.750  0.978  0.019  1.0
  Zn  Zn3  1  0.250  0.022  0.981  1.0
  Fe  Fe4  1  0.500  0.500  0.000  1.0
  Fe  Fe5  1  0.000  0.500  0.000  1.0
  Sb  Sb6  1  0.500  0.000  0.500  1.0
  Sb  Sb7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.432  0.681  0.676  1.0
  O  O9  1  0.069  0.830  0.185  1.0
  O  O10  1  0.932  0.319  0.324  1.0
  O  O11  1  0.569  0.170  0.815  1.0
  O  O12  1  0.431  0.830  0.185  1.0
  O  O13  1  0.931  0.170  0.815  1.0
  O  O14  1  0.250  0.134  0.577  1.0
  O  O15  1  0.068  0.681  0.676  1.0
  O  O16  1  0.750  0.613  0.925  1.0
  O  O17  1  0.568  0.319  0.324  1.0
  O  O18  1  0.750  0.866  0.423  1.0
  O  O19  1  0.250  0.387  0.075  1.0
[/CIF]
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