The material structure described by VFeSbO6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2nm space group. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with four equivalent V(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. 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 four equivalent V(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(1), one Fe(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one Fe(1), and one Sb(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(1), one Fe(1), and one Sb(1) atom. is represented by the CIF file [CIF]
data_VFeSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.638
_cell_length_b   4.638
_cell_length_c   9.264
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.020
_symmetry_Int_Tables_number   1
_cell_volume   199.250
_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
  V  V0  1  0.000  0.000  0.001  1.0
  V  V1  1  0.500  0.500  0.501  1.0
  Fe  Fe2  1  0.500  0.500  0.169  1.0
  Fe  Fe3  1  0.000  0.000  0.669  1.0
  Sb  Sb4  1  0.500  0.500  0.834  1.0
  Sb  Sb5  1  0.000  0.000  0.334  1.0
  O  O6  1  0.192  0.808  0.163  1.0
  O  O7  1  0.808  0.192  0.163  1.0
  O  O8  1  0.308  0.308  0.664  1.0
  O  O9  1  0.692  0.692  0.664  1.0
  O  O10  1  0.202  0.798  0.498  1.0
  O  O11  1  0.798  0.202  0.498  1.0
  O  O12  1  0.298  0.298  0.998  1.0
  O  O13  1  0.702  0.702  0.998  1.0
  O  O14  1  0.194  0.806  0.837  1.0
  O  O15  1  0.806  0.194  0.837  1.0
  O  O16  1  0.306  0.306  0.336  1.0
  O  O17  1  0.694  0.694  0.336  1.0
[/CIF]
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The material structure described by VFeSbO6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2nm space group. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with four equivalent V(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. 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 four equivalent V(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(1), one Fe(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one Fe(1), and one Sb(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(1), one Fe(1), and one Sb(1) atom. is represented by the CIF file [CIF]
data_VFeSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.638
_cell_length_b   4.638
_cell_length_c   9.264
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.020
_symmetry_Int_Tables_number   1
_cell_volume   199.250
_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
  V  V0  1  0.000  0.000  0.001  1.0
  V  V1  1  0.500  0.500  0.501  1.0
  Fe  Fe2  1  0.500  0.500  0.169  1.0
  Fe  Fe3  1  0.000  0.000  0.669  1.0
  Sb  Sb4  1  0.500  0.500  0.834  1.0
  Sb  Sb5  1  0.000  0.000  0.334  1.0
  O  O6  1  0.192  0.808  0.163  1.0
  O  O7  1  0.808  0.192  0.163  1.0
  O  O8  1  0.308  0.308  0.664  1.0
  O  O9  1  0.692  0.692  0.664  1.0
  O  O10  1  0.202  0.798  0.498  1.0
  O  O11  1  0.798  0.202  0.498  1.0
  O  O12  1  0.298  0.298  0.998  1.0
  O  O13  1  0.702  0.702  0.998  1.0
  O  O14  1  0.194  0.806  0.837  1.0
  O  O15  1  0.806  0.194  0.837  1.0
  O  O16  1  0.306  0.306  0.336  1.0
  O  O17  1  0.694  0.694  0.336  1.0
[/CIF]
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