The structure described by Ti2Cu3 crystallizes in the tetragonal I4/mmm space group. Ti(1) is bonded in a 9-coordinate geometry to four equivalent Cu(2) and five equivalent Cu(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to five equivalent Ti(1) and four equivalent Cu(1) atoms. In the second Cu site, Cu(2) is bonded in a body-centered cubic geometry to eight equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_Ti2Cu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.109
_cell_length_b   3.109
_cell_length_c   7.390
_cell_angle_alpha   102.125
_cell_angle_beta   102.125
_cell_angle_gamma   90.005
_symmetry_Int_Tables_number   1
_cell_volume   68.215
_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  0.605  0.605  0.209  1.0
  Ti  Ti1  1  0.395  0.395  0.791  1.0
  Cu  Cu2  1  0.794  0.794  0.588  1.0
  Cu  Cu3  1  0.206  0.206  0.412  1.0
  Cu  Cu4  1  1.000  1.000  0.000  1.0
[/CIF]
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The structure described by Ti2Cu3 crystallizes in the tetragonal I4/mmm space group. Ti(1) is bonded in a 9-coordinate geometry to four equivalent Cu(2) and five equivalent Cu(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to five equivalent Ti(1) and four equivalent Cu(1) atoms. In the second Cu site, Cu(2) is bonded in a body-centered cubic geometry to eight equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_Ti2Cu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.109
_cell_length_b   3.109
_cell_length_c   7.390
_cell_angle_alpha   102.125
_cell_angle_beta   102.125
_cell_angle_gamma   90.005
_symmetry_Int_Tables_number   1
_cell_volume   68.215
_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  0.605  0.605  0.209  1.0
  Ti  Ti1  1  0.395  0.395  0.791  1.0
  Cu  Cu2  1  0.794  0.794  0.588  1.0
  Cu  Cu3  1  0.206  0.206  0.412  1.0
  Cu  Cu4  1  1.000  1.000  0.000  1.0
[/CIF]
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