The crystal structure described by Mn3Ga is beta-derived structured and crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent Mn(1) and six equivalent Mn(2) atoms to form MnMn12 cuboctahedra that share corners with six equivalent Mn(1)Mn12 cuboctahedra, corners with twelve equivalent Ga(1)Mn6Ga6 cuboctahedra, edges with six equivalent Mn(1)Mn12 cuboctahedra, edges with twelve equivalent Mn(2)Mn9Ga3 cuboctahedra, faces with two equivalent Ga(1)Mn6Ga6 cuboctahedra, faces with six equivalent Mn(1)Mn12 cuboctahedra, and faces with twelve equivalent Mn(2)Mn9Ga3 cuboctahedra. In the second Mn site, Mn(2) is bonded to three equivalent Mn(1), six equivalent Mn(2), and three equivalent Ga(1) atoms to form MnMn9Ga3 cuboctahedra that share corners with eighteen equivalent Mn(2)Mn9Ga3 cuboctahedra, edges with six equivalent Mn(1)Mn12 cuboctahedra, edges with six equivalent Mn(2)Mn9Ga3 cuboctahedra, edges with six equivalent Ga(1)Mn6Ga6 cuboctahedra, faces with six equivalent Mn(1)Mn12 cuboctahedra, faces with six equivalent Ga(1)Mn6Ga6 cuboctahedra, and faces with eight equivalent Mn(2)Mn9Ga3 cuboctahedra. Ga(1) is bonded to six equivalent Mn(2) and six equivalent Ga(1) atoms to form GaMn6Ga6 cuboctahedra that share corners with six equivalent Ga(1)Mn6Ga6 cuboctahedra, corners with twelve equivalent Mn(1)Mn12 cuboctahedra, edges with six equivalent Ga(1)Mn6Ga6 cuboctahedra, edges with twelve equivalent Mn(2)Mn9Ga3 cuboctahedra, faces with two equivalent Mn(1)Mn12 cuboctahedra, faces with six equivalent Ga(1)Mn6Ga6 cuboctahedra, and faces with twelve equivalent Mn(2)Mn9Ga3 cuboctahedra. is represented by the CIF card [CIF]
data_Mn3Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.599
_cell_length_b   2.599
_cell_length_c   8.158
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   47.730
_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  0.333  0.667  0.500  1.0
  Mn  Mn1  1  0.000  0.000  0.261  1.0
  Mn  Mn2  1  0.000  0.000  0.739  1.0
  Ga  Ga3  1  0.333  0.667  0.000  1.0
[/CIF]
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The crystal structure described by Mn3Ga is beta-derived structured and crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent Mn(1) and six equivalent Mn(2) atoms to form MnMn12 cuboctahedra that share corners with six equivalent Mn(1)Mn12 cuboctahedra, corners with twelve equivalent Ga(1)Mn6Ga6 cuboctahedra, edges with six equivalent Mn(1)Mn12 cuboctahedra, edges with twelve equivalent Mn(2)Mn9Ga3 cuboctahedra, faces with two equivalent Ga(1)Mn6Ga6 cuboctahedra, faces with six equivalent Mn(1)Mn12 cuboctahedra, and faces with twelve equivalent Mn(2)Mn9Ga3 cuboctahedra. In the second Mn site, Mn(2) is bonded to three equivalent Mn(1), six equivalent Mn(2), and three equivalent Ga(1) atoms to form MnMn9Ga3 cuboctahedra that share corners with eighteen equivalent Mn(2)Mn9Ga3 cuboctahedra, edges with six equivalent Mn(1)Mn12 cuboctahedra, edges with six equivalent Mn(2)Mn9Ga3 cuboctahedra, edges with six equivalent Ga(1)Mn6Ga6 cuboctahedra, faces with six equivalent Mn(1)Mn12 cuboctahedra, faces with six equivalent Ga(1)Mn6Ga6 cuboctahedra, and faces with eight equivalent Mn(2)Mn9Ga3 cuboctahedra. Ga(1) is bonded to six equivalent Mn(2) and six equivalent Ga(1) atoms to form GaMn6Ga6 cuboctahedra that share corners with six equivalent Ga(1)Mn6Ga6 cuboctahedra, corners with twelve equivalent Mn(1)Mn12 cuboctahedra, edges with six equivalent Ga(1)Mn6Ga6 cuboctahedra, edges with twelve equivalent Mn(2)Mn9Ga3 cuboctahedra, faces with two equivalent Mn(1)Mn12 cuboctahedra, faces with six equivalent Ga(1)Mn6Ga6 cuboctahedra, and faces with twelve equivalent Mn(2)Mn9Ga3 cuboctahedra. is represented by the CIF card [CIF]
data_Mn3Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.599
_cell_length_b   2.599
_cell_length_c   8.158
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   47.730
_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  0.333  0.667  0.500  1.0
  Mn  Mn1  1  0.000  0.000  0.261  1.0
  Mn  Mn2  1  0.000  0.000  0.739  1.0
  Ga  Ga3  1  0.333  0.667  0.000  1.0
[/CIF]
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