The structure described by Mn3Ga is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mn(1) is bonded to eight equivalent Mn(1) and four equivalent Ga(1) atoms to form distorted MnMn8Ga4 cuboctahedra that share corners with four equivalent Ga(1)Mn12 cuboctahedra, corners with fourteen equivalent Mn(1)Mn8Ga4 cuboctahedra, edges with six equivalent Ga(1)Mn12 cuboctahedra, edges with twelve equivalent Mn(1)Mn8Ga4 cuboctahedra, faces with four equivalent Ga(1)Mn12 cuboctahedra, and faces with sixteen equivalent Mn(1)Mn8Ga4 cuboctahedra. Ga(1) is bonded to twelve equivalent Mn(1) atoms to form GaMn12 cuboctahedra that share corners with six equivalent Ga(1)Mn12 cuboctahedra, corners with twelve equivalent Mn(1)Mn8Ga4 cuboctahedra, edges with eighteen equivalent Mn(1)Mn8Ga4 cuboctahedra, faces with eight equivalent Ga(1)Mn12 cuboctahedra, and faces with twelve equivalent Mn(1)Mn8Ga4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.142
_cell_length_b   5.142
_cell_length_c   4.186
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   95.851
_cell_formula_units_Z   2
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  0.842  0.158  0.250  1.0
  Mn  Mn1  1  0.842  0.684  0.250  1.0
  Mn  Mn2  1  0.316  0.158  0.250  1.0
  Mn  Mn3  1  0.158  0.842  0.750  1.0
  Mn  Mn4  1  0.158  0.316  0.750  1.0
  Mn  Mn5  1  0.684  0.842  0.750  1.0
  Ga  Ga6  1  0.333  0.667  0.250  1.0
  Ga  Ga7  1  0.667  0.333  0.750  1.0
[/CIF]
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The structure described by Mn3Ga is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mn(1) is bonded to eight equivalent Mn(1) and four equivalent Ga(1) atoms to form distorted MnMn8Ga4 cuboctahedra that share corners with four equivalent Ga(1)Mn12 cuboctahedra, corners with fourteen equivalent Mn(1)Mn8Ga4 cuboctahedra, edges with six equivalent Ga(1)Mn12 cuboctahedra, edges with twelve equivalent Mn(1)Mn8Ga4 cuboctahedra, faces with four equivalent Ga(1)Mn12 cuboctahedra, and faces with sixteen equivalent Mn(1)Mn8Ga4 cuboctahedra. Ga(1) is bonded to twelve equivalent Mn(1) atoms to form GaMn12 cuboctahedra that share corners with six equivalent Ga(1)Mn12 cuboctahedra, corners with twelve equivalent Mn(1)Mn8Ga4 cuboctahedra, edges with eighteen equivalent Mn(1)Mn8Ga4 cuboctahedra, faces with eight equivalent Ga(1)Mn12 cuboctahedra, and faces with twelve equivalent Mn(1)Mn8Ga4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.142
_cell_length_b   5.142
_cell_length_c   4.186
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   95.851
_cell_formula_units_Z   2
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  0.842  0.158  0.250  1.0
  Mn  Mn1  1  0.842  0.684  0.250  1.0
  Mn  Mn2  1  0.316  0.158  0.250  1.0
  Mn  Mn3  1  0.158  0.842  0.750  1.0
  Mn  Mn4  1  0.158  0.316  0.750  1.0
  Mn  Mn5  1  0.684  0.842  0.750  1.0
  Ga  Ga6  1  0.333  0.667  0.250  1.0
  Ga  Ga7  1  0.667  0.333  0.750  1.0
[/CIF]
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