The structure described by Ti4Cu2O crystallizes in the cubic Fd-3m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted bent 150 degrees geometry to four equivalent Cu(1) and two equivalent O(1) atoms. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to six equivalent Cu(1) atoms. Cu(1) is bonded in a 12-coordinate geometry to three equivalent Ti(2), six equivalent Ti(1), and three equivalent Cu(1) atoms. O(1) is bonded to six equivalent Ti(1) atoms to form corner-sharing OTi6 octahedra. The corner-sharing octahedral tilt angles are 37°. is represented by the CIF file [CIF]
data_Ti4Cu2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.059
_cell_length_b   8.060
_cell_length_c   8.059
_cell_angle_alpha   60.013
_cell_angle_beta   60.010
_cell_angle_gamma   60.014
_symmetry_Int_Tables_number   1
_cell_volume   370.228
_cell_formula_units_Z   4
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  0.816  0.184  0.816  1.0
  Ti  Ti1  1  0.184  0.816  0.184  1.0
  Ti  Ti2  1  0.434  0.066  0.434  1.0
  Ti  Ti3  1  0.434  0.066  0.066  1.0
  Ti  Ti4  1  0.066  0.434  0.434  1.0
  Ti  Ti5  1  0.066  0.434  0.066  1.0
  Ti  Ti6  1  0.184  0.184  0.816  1.0
  Ti  Ti7  1  0.434  0.434  0.066  1.0
  Ti  Ti8  1  0.125  0.625  0.625  1.0
  Ti  Ti9  1  0.625  0.625  0.125  1.0
  Ti  Ti10  1  0.625  0.625  0.625  1.0
  Ti  Ti11  1  0.625  0.125  0.625  1.0
  Ti  Ti12  1  0.184  0.816  0.816  1.0
  Ti  Ti13  1  0.816  0.184  0.184  1.0
  Ti  Ti14  1  0.066  0.066  0.434  1.0
  Ti  Ti15  1  0.816  0.816  0.184  1.0
  Cu  Cu16  1  0.416  0.753  0.416  1.0
  Cu  Cu17  1  0.834  0.834  0.497  1.0
  Cu  Cu18  1  0.834  0.834  0.834  1.0
  Cu  Cu19  1  0.497  0.834  0.834  1.0
  Cu  Cu20  1  0.416  0.416  0.416  1.0
  Cu  Cu21  1  0.416  0.416  0.753  1.0
  Cu  Cu22  1  0.834  0.497  0.834  1.0
  Cu  Cu23  1  0.753  0.416  0.416  1.0
  O  O24  1  0.125  0.125  0.625  1.0
  O  O25  1  0.625  0.125  0.125  1.0
  O  O26  1  0.125  0.125  0.125  1.0
  O  O27  1  0.125  0.625  0.125  1.0
[/CIF]
.
The structure described by Ti4Cu2O crystallizes in the cubic Fd-3m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted bent 150 degrees geometry to four equivalent Cu(1) and two equivalent O(1) atoms. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to six equivalent Cu(1) atoms. Cu(1) is bonded in a 12-coordinate geometry to three equivalent Ti(2), six equivalent Ti(1), and three equivalent Cu(1) atoms. O(1) is bonded to six equivalent Ti(1) atoms to form corner-sharing OTi6 octahedra. The corner-sharing octahedral tilt angles are 37°. is represented by the CIF file [CIF]
data_Ti4Cu2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.059
_cell_length_b   8.060
_cell_length_c   8.059
_cell_angle_alpha   60.013
_cell_angle_beta   60.010
_cell_angle_gamma   60.014
_symmetry_Int_Tables_number   1
_cell_volume   370.228
_cell_formula_units_Z   4
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  0.816  0.184  0.816  1.0
  Ti  Ti1  1  0.184  0.816  0.184  1.0
  Ti  Ti2  1  0.434  0.066  0.434  1.0
  Ti  Ti3  1  0.434  0.066  0.066  1.0
  Ti  Ti4  1  0.066  0.434  0.434  1.0
  Ti  Ti5  1  0.066  0.434  0.066  1.0
  Ti  Ti6  1  0.184  0.184  0.816  1.0
  Ti  Ti7  1  0.434  0.434  0.066  1.0
  Ti  Ti8  1  0.125  0.625  0.625  1.0
  Ti  Ti9  1  0.625  0.625  0.125  1.0
  Ti  Ti10  1  0.625  0.625  0.625  1.0
  Ti  Ti11  1  0.625  0.125  0.625  1.0
  Ti  Ti12  1  0.184  0.816  0.816  1.0
  Ti  Ti13  1  0.816  0.184  0.184  1.0
  Ti  Ti14  1  0.066  0.066  0.434  1.0
  Ti  Ti15  1  0.816  0.816  0.184  1.0
  Cu  Cu16  1  0.416  0.753  0.416  1.0
  Cu  Cu17  1  0.834  0.834  0.497  1.0
  Cu  Cu18  1  0.834  0.834  0.834  1.0
  Cu  Cu19  1  0.497  0.834  0.834  1.0
  Cu  Cu20  1  0.416  0.416  0.416  1.0
  Cu  Cu21  1  0.416  0.416  0.753  1.0
  Cu  Cu22  1  0.834  0.497  0.834  1.0
  Cu  Cu23  1  0.753  0.416  0.416  1.0
  O  O24  1  0.125  0.125  0.625  1.0
  O  O25  1  0.625  0.125  0.125  1.0
  O  O26  1  0.125  0.125  0.125  1.0
  O  O27  1  0.125  0.625  0.125  1.0
[/CIF]
.