The compound described by Ti2MnGa crystallizes in the cubic F-43m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 8-coordinate geometry to four equivalent Ti(2) and four equivalent Ga(1) atoms. In the second Ti site, Ti(2) is bonded in a 14-coordinate geometry to four equivalent Ti(1), four equivalent Mn(1), and six equivalent Ga(1) atoms. Mn(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ti(2) and four equivalent Ga(1) atoms. Ga(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ti(1), six equivalent Ti(2), and four equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_Ti2MnGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.401
_cell_length_b   4.401
_cell_length_c   4.401
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   60.292
_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  0.000  0.000  0.000  1.0
  Ti  Ti1  1  0.250  0.250  0.250  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Ga  Ga3  1  0.750  0.750  0.750  1.0
[/CIF]
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The compound described by Ti2MnGa crystallizes in the cubic F-43m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 8-coordinate geometry to four equivalent Ti(2) and four equivalent Ga(1) atoms. In the second Ti site, Ti(2) is bonded in a 14-coordinate geometry to four equivalent Ti(1), four equivalent Mn(1), and six equivalent Ga(1) atoms. Mn(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ti(2) and four equivalent Ga(1) atoms. Ga(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ti(1), six equivalent Ti(2), and four equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_Ti2MnGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.401
_cell_length_b   4.401
_cell_length_c   4.401
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   60.292
_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  0.000  0.000  0.000  1.0
  Ti  Ti1  1  0.250  0.250  0.250  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Ga  Ga3  1  0.750  0.750  0.750  1.0
[/CIF]
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