The structure described by FeTaO4 crystallizes in the monoclinic C2/m space group. Ta(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Ta(1)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-30°. Fe(1) is bonded to one O(1), one O(2), one O(3), and three equivalent O(4) atoms to form distorted FeO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with three equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-35°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ta(1) and one Fe(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Ta(1) and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to two equivalent Ta(1) and one Fe(1) atom. In the fourth O site, O(4) is bonded to one Ta(1) and three equivalent Fe(1) atoms to form a mixture of distorted corner and edge-sharing OTaFe3 tetrahedra. is represented by the CIF card [CIF]
data_TaFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.574
_cell_length_b   6.574
_cell_length_c   6.663
_cell_angle_alpha   73.392
_cell_angle_beta   73.392
_cell_angle_gamma   34.054
_symmetry_Int_Tables_number   1
_cell_volume   153.854
_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
  Ta  Ta0  1  0.895  0.895  0.224  1.0
  Ta  Ta1  1  0.105  0.105  0.776  1.0
  Fe  Fe2  1  0.805  0.805  0.806  1.0
  Fe  Fe3  1  0.195  0.195  0.194  1.0
  O  O4  1  0.945  0.945  0.869  1.0
  O  O5  1  0.863  0.863  0.511  1.0
  O  O6  1  0.633  0.633  0.799  1.0
  O  O7  1  0.745  0.745  0.148  1.0
  O  O8  1  0.255  0.255  0.852  1.0
  O  O9  1  0.367  0.367  0.201  1.0
  O  O10  1  0.137  0.137  0.489  1.0
  O  O11  1  0.055  0.055  0.131  1.0
[/CIF]
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The structure described by FeTaO4 crystallizes in the monoclinic C2/m space group. Ta(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Ta(1)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-30°. Fe(1) is bonded to one O(1), one O(2), one O(3), and three equivalent O(4) atoms to form distorted FeO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with three equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-35°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ta(1) and one Fe(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Ta(1) and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to two equivalent Ta(1) and one Fe(1) atom. In the fourth O site, O(4) is bonded to one Ta(1) and three equivalent Fe(1) atoms to form a mixture of distorted corner and edge-sharing OTaFe3 tetrahedra. is represented by the CIF card [CIF]
data_TaFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.574
_cell_length_b   6.574
_cell_length_c   6.663
_cell_angle_alpha   73.392
_cell_angle_beta   73.392
_cell_angle_gamma   34.054
_symmetry_Int_Tables_number   1
_cell_volume   153.854
_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
  Ta  Ta0  1  0.895  0.895  0.224  1.0
  Ta  Ta1  1  0.105  0.105  0.776  1.0
  Fe  Fe2  1  0.805  0.805  0.806  1.0
  Fe  Fe3  1  0.195  0.195  0.194  1.0
  O  O4  1  0.945  0.945  0.869  1.0
  O  O5  1  0.863  0.863  0.511  1.0
  O  O6  1  0.633  0.633  0.799  1.0
  O  O7  1  0.745  0.745  0.148  1.0
  O  O8  1  0.255  0.255  0.852  1.0
  O  O9  1  0.367  0.367  0.201  1.0
  O  O10  1  0.137  0.137  0.489  1.0
  O  O11  1  0.055  0.055  0.131  1.0
[/CIF]
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