The material described by Ti4Ni2Ga3 is gamma-brass-derived structured and crystallizes in the hexagonal P-62m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 13-coordinate geometry to one Ti(2), two equivalent Ti(1), four equivalent Ni(1), and six equivalent Ga(1) atoms. In the second Ti site, Ti(2) is bonded in a 11-coordinate geometry to two equivalent Ti(2), three equivalent Ti(1), and six equivalent Ga(1) atoms. Ni(1) is bonded in a 11-coordinate geometry to six equivalent Ti(1), two equivalent Ni(1), and three equivalent Ga(1) atoms. Ga(1) is bonded to two equivalent Ti(2), six equivalent Ti(1), two equivalent Ni(1), and two equivalent Ga(1) atoms to form a mixture of distorted edge, face, and corner-sharing GaTi8Ga2Ni2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti4Ga3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.325
_cell_length_b   7.325
_cell_length_c   2.821
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   131.087
_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  0.367  0.000  0.000  1.0
  Ti  Ti1  1  0.000  0.367  0.000  1.0
  Ti  Ti2  1  0.633  0.633  0.000  1.0
  Ti  Ti3  1  0.000  0.000  0.000  1.0
  Ga  Ga4  1  0.314  0.314  0.500  1.0
  Ga  Ga5  1  0.000  0.686  0.500  1.0
  Ga  Ga6  1  0.686  0.000  0.500  1.0
  Ni  Ni7  1  0.333  0.667  0.500  1.0
  Ni  Ni8  1  0.667  0.333  0.500  1.0
[/CIF]
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The material described by Ti4Ni2Ga3 is gamma-brass-derived structured and crystallizes in the hexagonal P-62m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 13-coordinate geometry to one Ti(2), two equivalent Ti(1), four equivalent Ni(1), and six equivalent Ga(1) atoms. In the second Ti site, Ti(2) is bonded in a 11-coordinate geometry to two equivalent Ti(2), three equivalent Ti(1), and six equivalent Ga(1) atoms. Ni(1) is bonded in a 11-coordinate geometry to six equivalent Ti(1), two equivalent Ni(1), and three equivalent Ga(1) atoms. Ga(1) is bonded to two equivalent Ti(2), six equivalent Ti(1), two equivalent Ni(1), and two equivalent Ga(1) atoms to form a mixture of distorted edge, face, and corner-sharing GaTi8Ga2Ni2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti4Ga3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.325
_cell_length_b   7.325
_cell_length_c   2.821
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   131.087
_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  0.367  0.000  0.000  1.0
  Ti  Ti1  1  0.000  0.367  0.000  1.0
  Ti  Ti2  1  0.633  0.633  0.000  1.0
  Ti  Ti3  1  0.000  0.000  0.000  1.0
  Ga  Ga4  1  0.314  0.314  0.500  1.0
  Ga  Ga5  1  0.000  0.686  0.500  1.0
  Ga  Ga6  1  0.686  0.000  0.500  1.0
  Ni  Ni7  1  0.333  0.667  0.500  1.0
  Ni  Ni8  1  0.667  0.333  0.500  1.0
[/CIF]
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