The material structure described by Ti4(FeO4)3 crystallizes in the cubic Im-3 space group. Ti(1) is bonded to six equivalent O(1) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 35°. Fe(1) is bonded in a distorted square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded in a 3-coordinate geometry to two equivalent Ti(1) and one Fe(1) atom. is represented by the CIF card [CIF]
data_Ti4(FeO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.478
_cell_length_b   6.478
_cell_length_c   6.478
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   209.307
_cell_formula_units_Z   1
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
  Ti  Ti0  1  0.500  0.500  0.500  1.0
  Ti  Ti1  1  0.000  0.500  0.000  1.0
  Ti  Ti2  1  0.000  0.000  0.500  1.0
  Ti  Ti3  1  0.500  0.000  0.000  1.0
  Fe  Fe4  1  0.500  0.500  0.000  1.0
  Fe  Fe5  1  0.500  0.000  0.500  1.0
  Fe  Fe6  1  0.000  0.500  0.500  1.0
  O  O7  1  0.198  0.889  0.691  1.0
  O  O8  1  0.198  0.507  0.309  1.0
  O  O9  1  0.802  0.493  0.691  1.0
  O  O10  1  0.309  0.198  0.507  1.0
  O  O11  1  0.889  0.691  0.198  1.0
  O  O12  1  0.111  0.309  0.802  1.0
  O  O13  1  0.309  0.802  0.111  1.0
  O  O14  1  0.507  0.309  0.198  1.0
  O  O15  1  0.802  0.111  0.309  1.0
  O  O16  1  0.691  0.198  0.889  1.0
  O  O17  1  0.691  0.802  0.493  1.0
  O  O18  1  0.493  0.691  0.802  1.0
[/CIF]
.
The material structure described by Ti4(FeO4)3 crystallizes in the cubic Im-3 space group. Ti(1) is bonded to six equivalent O(1) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 35°. Fe(1) is bonded in a distorted square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded in a 3-coordinate geometry to two equivalent Ti(1) and one Fe(1) atom. is represented by the CIF card [CIF]
data_Ti4(FeO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.478
_cell_length_b   6.478
_cell_length_c   6.478
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   209.307
_cell_formula_units_Z   1
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
  Ti  Ti0  1  0.500  0.500  0.500  1.0
  Ti  Ti1  1  0.000  0.500  0.000  1.0
  Ti  Ti2  1  0.000  0.000  0.500  1.0
  Ti  Ti3  1  0.500  0.000  0.000  1.0
  Fe  Fe4  1  0.500  0.500  0.000  1.0
  Fe  Fe5  1  0.500  0.000  0.500  1.0
  Fe  Fe6  1  0.000  0.500  0.500  1.0
  O  O7  1  0.198  0.889  0.691  1.0
  O  O8  1  0.198  0.507  0.309  1.0
  O  O9  1  0.802  0.493  0.691  1.0
  O  O10  1  0.309  0.198  0.507  1.0
  O  O11  1  0.889  0.691  0.198  1.0
  O  O12  1  0.111  0.309  0.802  1.0
  O  O13  1  0.309  0.802  0.111  1.0
  O  O14  1  0.507  0.309  0.198  1.0
  O  O15  1  0.802  0.111  0.309  1.0
  O  O16  1  0.691  0.198  0.889  1.0
  O  O17  1  0.691  0.802  0.493  1.0
  O  O18  1  0.493  0.691  0.802  1.0
[/CIF]
.