The crystal structure described by Mn2NiGa is beta Cu3Ti-derived structured and crystallizes in the tetragonal I-4m2 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to four equivalent Mn(2), four equivalent Ni(1), and four equivalent Ga(1) atoms to form distorted MnMn4Ga4Ni4 cuboctahedra that share corners with four equivalent Mn(1)Mn4Ga4Ni4 cuboctahedra, corners with eight equivalent Ga(1)Mn8Ni4 cuboctahedra, edges with eight equivalent Mn(1)Mn4Ga4Ni4 cuboctahedra, edges with eight equivalent Mn(2)Mn4Ga4Ni4 cuboctahedra, edges with eight equivalent Ni(1)Mn8Ga4 cuboctahedra, faces with four equivalent Mn(1)Mn4Ga4Ni4 cuboctahedra, faces with four equivalent Mn(2)Mn4Ga4Ni4 cuboctahedra, faces with four equivalent Ni(1)Mn8Ga4 cuboctahedra, and faces with six equivalent Ga(1)Mn8Ni4 cuboctahedra. In the second Mn site, Mn(2) is bonded to four equivalent Mn(1), four equivalent Ni(1), and four equivalent Ga(1) atoms to form MnMn4Ga4Ni4 cuboctahedra that share corners with four equivalent Mn(2)Mn4Ga4Ni4 cuboctahedra, corners with eight equivalent Ni(1)Mn8Ga4 cuboctahedra, edges with eight equivalent Mn(1)Mn4Ga4Ni4 cuboctahedra, edges with eight equivalent Mn(2)Mn4Ga4Ni4 cuboctahedra, edges with eight equivalent Ga(1)Mn8Ni4 cuboctahedra, faces with four equivalent Mn(1)Mn4Ga4Ni4 cuboctahedra, faces with four equivalent Mn(2)Mn4Ga4Ni4 cuboctahedra, faces with four equivalent Ga(1)Mn8Ni4 cuboctahedra, and faces with six equivalent Ni(1)Mn8Ga4 cuboctahedra. Ni(1) is bonded to four equivalent Mn(1), four equivalent Mn(2), and four equivalent Ga(1) atoms to form NiMn8Ga4 cuboctahedra that share corners with four equivalent Ni(1)Mn8Ga4 cuboctahedra, corners with eight equivalent Mn(2)Mn4Ga4Ni4 cuboctahedra, edges with eight equivalent Mn(1)Mn4Ga4Ni4 cuboctahedra, edges with eight equivalent Ni(1)Mn8Ga4 cuboctahedra, edges with eight equivalent Ga(1)Mn8Ni4 cuboctahedra, faces with four equivalent Mn(1)Mn4Ga4Ni4 cuboctahedra, faces with four equivalent Ni(1)Mn8Ga4 cuboctahedra, faces with four equivalent Ga(1)Mn8Ni4 cuboctahedra, and faces with six equivalent Mn(2)Mn4Ga4Ni4 cuboctahedra. Ga(1) is bonded to four equivalent Mn(1), four equivalent Mn(2), and four equivalent Ni(1) atoms to form GaMn8Ni4 cuboctahedra that share corners with four equivalent Ga(1)Mn8Ni4 cuboctahedra, corners with eight equivalent Mn(1)Mn4Ga4Ni4 cuboctahedra, edges with eight equivalent Mn(2)Mn4Ga4Ni4 cuboctahedra, edges with eight equivalent Ni(1)Mn8Ga4 cuboctahedra, edges with eight equivalent Ga(1)Mn8Ni4 cuboctahedra, faces with four equivalent Mn(2)Mn4Ga4Ni4 cuboctahedra, faces with four equivalent Ni(1)Mn8Ga4 cuboctahedra, faces with four equivalent Ga(1)Mn8Ni4 cuboctahedra, and faces with six equivalent Mn(1)Mn4Ga4Ni4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2GaNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.920
_cell_length_b   3.920
_cell_length_c   4.471
_cell_angle_alpha   63.998
_cell_angle_beta   63.998
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   53.921
_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  0.500  0.500  0.000  1.0
  Mn  Mn1  1  0.750  0.250  0.500  1.0
  Ga  Ga2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.250  0.750  0.500  1.0
[/CIF]
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The crystal structure described by Mn2NiGa is beta Cu3Ti-derived structured and crystallizes in the tetragonal I-4m2 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to four equivalent Mn(2), four equivalent Ni(1), and four equivalent Ga(1) atoms to form distorted MnMn4Ga4Ni4 cuboctahedra that share corners with four equivalent Mn(1)Mn4Ga4Ni4 cuboctahedra, corners with eight equivalent Ga(1)Mn8Ni4 cuboctahedra, edges with eight equivalent Mn(1)Mn4Ga4Ni4 cuboctahedra, edges with eight equivalent Mn(2)Mn4Ga4Ni4 cuboctahedra, edges with eight equivalent Ni(1)Mn8Ga4 cuboctahedra, faces with four equivalent Mn(1)Mn4Ga4Ni4 cuboctahedra, faces with four equivalent Mn(2)Mn4Ga4Ni4 cuboctahedra, faces with four equivalent Ni(1)Mn8Ga4 cuboctahedra, and faces with six equivalent Ga(1)Mn8Ni4 cuboctahedra. In the second Mn site, Mn(2) is bonded to four equivalent Mn(1), four equivalent Ni(1), and four equivalent Ga(1) atoms to form MnMn4Ga4Ni4 cuboctahedra that share corners with four equivalent Mn(2)Mn4Ga4Ni4 cuboctahedra, corners with eight equivalent Ni(1)Mn8Ga4 cuboctahedra, edges with eight equivalent Mn(1)Mn4Ga4Ni4 cuboctahedra, edges with eight equivalent Mn(2)Mn4Ga4Ni4 cuboctahedra, edges with eight equivalent Ga(1)Mn8Ni4 cuboctahedra, faces with four equivalent Mn(1)Mn4Ga4Ni4 cuboctahedra, faces with four equivalent Mn(2)Mn4Ga4Ni4 cuboctahedra, faces with four equivalent Ga(1)Mn8Ni4 cuboctahedra, and faces with six equivalent Ni(1)Mn8Ga4 cuboctahedra. Ni(1) is bonded to four equivalent Mn(1), four equivalent Mn(2), and four equivalent Ga(1) atoms to form NiMn8Ga4 cuboctahedra that share corners with four equivalent Ni(1)Mn8Ga4 cuboctahedra, corners with eight equivalent Mn(2)Mn4Ga4Ni4 cuboctahedra, edges with eight equivalent Mn(1)Mn4Ga4Ni4 cuboctahedra, edges with eight equivalent Ni(1)Mn8Ga4 cuboctahedra, edges with eight equivalent Ga(1)Mn8Ni4 cuboctahedra, faces with four equivalent Mn(1)Mn4Ga4Ni4 cuboctahedra, faces with four equivalent Ni(1)Mn8Ga4 cuboctahedra, faces with four equivalent Ga(1)Mn8Ni4 cuboctahedra, and faces with six equivalent Mn(2)Mn4Ga4Ni4 cuboctahedra. Ga(1) is bonded to four equivalent Mn(1), four equivalent Mn(2), and four equivalent Ni(1) atoms to form GaMn8Ni4 cuboctahedra that share corners with four equivalent Ga(1)Mn8Ni4 cuboctahedra, corners with eight equivalent Mn(1)Mn4Ga4Ni4 cuboctahedra, edges with eight equivalent Mn(2)Mn4Ga4Ni4 cuboctahedra, edges with eight equivalent Ni(1)Mn8Ga4 cuboctahedra, edges with eight equivalent Ga(1)Mn8Ni4 cuboctahedra, faces with four equivalent Mn(2)Mn4Ga4Ni4 cuboctahedra, faces with four equivalent Ni(1)Mn8Ga4 cuboctahedra, faces with four equivalent Ga(1)Mn8Ni4 cuboctahedra, and faces with six equivalent Mn(1)Mn4Ga4Ni4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2GaNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.920
_cell_length_b   3.920
_cell_length_c   4.471
_cell_angle_alpha   63.998
_cell_angle_beta   63.998
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   53.921
_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  0.500  0.500  0.000  1.0
  Mn  Mn1  1  0.750  0.250  0.500  1.0
  Ga  Ga2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.250  0.750  0.500  1.0
[/CIF]
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