The compound described by Ni2MnGa crystallizes in the tetragonal P4/mmm space group. Mn(1) is bonded to eight equivalent Ni(1) and four equivalent Ga(1) atoms to form MnGa4Ni8 cuboctahedra that share corners with twelve equivalent Mn(1)Ga4Ni8 cuboctahedra, edges with eight equivalent Ga(1)Mn4Ni8 cuboctahedra, edges with sixteen equivalent Ni(1)Mn4Ga4Ni4 cuboctahedra, faces with four equivalent Ga(1)Mn4Ni8 cuboctahedra, faces with six equivalent Mn(1)Ga4Ni8 cuboctahedra, and faces with eight equivalent Ni(1)Mn4Ga4Ni4 cuboctahedra. Ni(1) is bonded to four equivalent Mn(1), four equivalent Ni(1), and four equivalent Ga(1) atoms to form distorted NiMn4Ga4Ni4 cuboctahedra that share corners with twelve equivalent Ni(1)Mn4Ga4Ni4 cuboctahedra, edges with eight equivalent Mn(1)Ga4Ni8 cuboctahedra, edges with eight equivalent Ni(1)Mn4Ga4Ni4 cuboctahedra, edges with eight equivalent Ga(1)Mn4Ni8 cuboctahedra, faces with four equivalent Mn(1)Ga4Ni8 cuboctahedra, faces with four equivalent Ga(1)Mn4Ni8 cuboctahedra, and faces with ten equivalent Ni(1)Mn4Ga4Ni4 cuboctahedra. Ga(1) is bonded to four equivalent Mn(1) and eight equivalent Ni(1) atoms to form GaMn4Ni8 cuboctahedra that share corners with twelve equivalent Ga(1)Mn4Ni8 cuboctahedra, edges with eight equivalent Mn(1)Ga4Ni8 cuboctahedra, edges with sixteen equivalent Ni(1)Mn4Ga4Ni4 cuboctahedra, faces with four equivalent Mn(1)Ga4Ni8 cuboctahedra, faces with six equivalent Ga(1)Mn4Ni8 cuboctahedra, and faces with eight equivalent Ni(1)Mn4Ga4Ni4 cuboctahedra. is represented by the CIF file [CIF]
data_MnGaNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.751
_cell_length_b   3.751
_cell_length_c   3.485
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   49.040
_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
  Mn  Mn0  1  0.000  0.000  0.000  1.0
  Ga  Ga1  1  0.500  0.500  0.000  1.0
  Ni  Ni2  1  0.000  0.500  0.500  1.0
  Ni  Ni3  1  0.500  0.000  0.500  1.0
[/CIF]
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The compound described by Ni2MnGa crystallizes in the tetragonal P4/mmm space group. Mn(1) is bonded to eight equivalent Ni(1) and four equivalent Ga(1) atoms to form MnGa4Ni8 cuboctahedra that share corners with twelve equivalent Mn(1)Ga4Ni8 cuboctahedra, edges with eight equivalent Ga(1)Mn4Ni8 cuboctahedra, edges with sixteen equivalent Ni(1)Mn4Ga4Ni4 cuboctahedra, faces with four equivalent Ga(1)Mn4Ni8 cuboctahedra, faces with six equivalent Mn(1)Ga4Ni8 cuboctahedra, and faces with eight equivalent Ni(1)Mn4Ga4Ni4 cuboctahedra. Ni(1) is bonded to four equivalent Mn(1), four equivalent Ni(1), and four equivalent Ga(1) atoms to form distorted NiMn4Ga4Ni4 cuboctahedra that share corners with twelve equivalent Ni(1)Mn4Ga4Ni4 cuboctahedra, edges with eight equivalent Mn(1)Ga4Ni8 cuboctahedra, edges with eight equivalent Ni(1)Mn4Ga4Ni4 cuboctahedra, edges with eight equivalent Ga(1)Mn4Ni8 cuboctahedra, faces with four equivalent Mn(1)Ga4Ni8 cuboctahedra, faces with four equivalent Ga(1)Mn4Ni8 cuboctahedra, and faces with ten equivalent Ni(1)Mn4Ga4Ni4 cuboctahedra. Ga(1) is bonded to four equivalent Mn(1) and eight equivalent Ni(1) atoms to form GaMn4Ni8 cuboctahedra that share corners with twelve equivalent Ga(1)Mn4Ni8 cuboctahedra, edges with eight equivalent Mn(1)Ga4Ni8 cuboctahedra, edges with sixteen equivalent Ni(1)Mn4Ga4Ni4 cuboctahedra, faces with four equivalent Mn(1)Ga4Ni8 cuboctahedra, faces with six equivalent Ga(1)Mn4Ni8 cuboctahedra, and faces with eight equivalent Ni(1)Mn4Ga4Ni4 cuboctahedra. is represented by the CIF file [CIF]
data_MnGaNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.751
_cell_length_b   3.751
_cell_length_c   3.485
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   49.040
_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
  Mn  Mn0  1  0.000  0.000  0.000  1.0
  Ga  Ga1  1  0.500  0.500  0.000  1.0
  Ni  Ni2  1  0.000  0.500  0.500  1.0
  Ni  Ni3  1  0.500  0.000  0.500  1.0
[/CIF]
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