The structure described by FeTaO4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/c space group. Ta(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted TaO6 octahedra that share corners with eight equivalent Fe(1)O6 octahedra and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with eight equivalent Ta(1)O6 octahedra and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one Fe(1) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Ta(1) and two equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_TaFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.686
_cell_length_b   5.070
_cell_length_c   5.700
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.921
_symmetry_Int_Tables_number   1
_cell_volume   135.393
_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
  Fe  Fe0  1  0.500  0.250  0.339  1.0
  Fe  Fe1  1  0.500  0.750  0.661  1.0
  O  O2  1  0.731  0.085  0.618  1.0
  O  O3  1  0.731  0.585  0.382  1.0
  O  O4  1  0.269  0.415  0.618  1.0
  O  O5  1  0.269  0.915  0.382  1.0
  O  O6  1  0.776  0.578  0.885  1.0
  O  O7  1  0.776  0.078  0.115  1.0
  O  O8  1  0.224  0.922  0.885  1.0
  O  O9  1  0.224  0.422  0.115  1.0
  Ta  Ta10  1  1.000  0.250  0.825  1.0
  Ta  Ta11  1  1.000  0.750  0.175  1.0
[/CIF]
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The structure described by FeTaO4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/c space group. Ta(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted TaO6 octahedra that share corners with eight equivalent Fe(1)O6 octahedra and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with eight equivalent Ta(1)O6 octahedra and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one Fe(1) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Ta(1) and two equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_TaFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.686
_cell_length_b   5.070
_cell_length_c   5.700
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.921
_symmetry_Int_Tables_number   1
_cell_volume   135.393
_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
  Fe  Fe0  1  0.500  0.250  0.339  1.0
  Fe  Fe1  1  0.500  0.750  0.661  1.0
  O  O2  1  0.731  0.085  0.618  1.0
  O  O3  1  0.731  0.585  0.382  1.0
  O  O4  1  0.269  0.415  0.618  1.0
  O  O5  1  0.269  0.915  0.382  1.0
  O  O6  1  0.776  0.578  0.885  1.0
  O  O7  1  0.776  0.078  0.115  1.0
  O  O8  1  0.224  0.922  0.885  1.0
  O  O9  1  0.224  0.422  0.115  1.0
  Ta  Ta10  1  1.000  0.250  0.825  1.0
  Ta  Ta11  1  1.000  0.750  0.175  1.0
[/CIF]
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