The material structure described by Hf2(TiGa)3 crystallizes in the hexagonal P6_3/mcm space group. Hf(1) is bonded in a 6-coordinate geometry to six equivalent Ga(1) atoms. Ti(1) is bonded in a 5-coordinate geometry to five equivalent Ga(1) atoms. Ga(1) is bonded in a 9-coordinate geometry to four equivalent Hf(1) and five equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_Hf2(TiGa)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.768
_cell_length_b   7.768
_cell_length_c   5.623
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   293.817
_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
  Hf  Hf0  1  0.667  0.333  0.000  1.0
  Hf  Hf1  1  0.333  0.667  0.000  1.0
  Hf  Hf2  1  0.333  0.667  0.500  1.0
  Hf  Hf3  1  0.667  0.333  0.500  1.0
  Ti  Ti4  1  0.763  0.763  0.750  1.0
  Ti  Ti5  1  0.237  0.000  0.750  1.0
  Ti  Ti6  1  0.000  0.237  0.750  1.0
  Ti  Ti7  1  0.237  0.237  0.250  1.0
  Ti  Ti8  1  0.763  0.000  0.250  1.0
  Ti  Ti9  1  0.000  0.763  0.250  1.0
  Ga  Ga10  1  0.386  0.386  0.750  1.0
  Ga  Ga11  1  0.614  0.000  0.750  1.0
  Ga  Ga12  1  0.000  0.614  0.750  1.0
  Ga  Ga13  1  0.614  0.614  0.250  1.0
  Ga  Ga14  1  0.386  0.000  0.250  1.0
  Ga  Ga15  1  0.000  0.386  0.250  1.0
[/CIF]
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The material structure described by Hf2(TiGa)3 crystallizes in the hexagonal P6_3/mcm space group. Hf(1) is bonded in a 6-coordinate geometry to six equivalent Ga(1) atoms. Ti(1) is bonded in a 5-coordinate geometry to five equivalent Ga(1) atoms. Ga(1) is bonded in a 9-coordinate geometry to four equivalent Hf(1) and five equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_Hf2(TiGa)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.768
_cell_length_b   7.768
_cell_length_c   5.623
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   293.817
_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
  Hf  Hf0  1  0.667  0.333  0.000  1.0
  Hf  Hf1  1  0.333  0.667  0.000  1.0
  Hf  Hf2  1  0.333  0.667  0.500  1.0
  Hf  Hf3  1  0.667  0.333  0.500  1.0
  Ti  Ti4  1  0.763  0.763  0.750  1.0
  Ti  Ti5  1  0.237  0.000  0.750  1.0
  Ti  Ti6  1  0.000  0.237  0.750  1.0
  Ti  Ti7  1  0.237  0.237  0.250  1.0
  Ti  Ti8  1  0.763  0.000  0.250  1.0
  Ti  Ti9  1  0.000  0.763  0.250  1.0
  Ga  Ga10  1  0.386  0.386  0.750  1.0
  Ga  Ga11  1  0.614  0.000  0.750  1.0
  Ga  Ga12  1  0.000  0.614  0.750  1.0
  Ga  Ga13  1  0.614  0.614  0.250  1.0
  Ga  Ga14  1  0.386  0.000  0.250  1.0
  Ga  Ga15  1  0.000  0.386  0.250  1.0
[/CIF]
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