The material structure described by Mn2Cu3Ga is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Mn(1) is bonded in a 16-coordinate geometry to four equivalent Mn(1), nine equivalent Cu(1), and three equivalent Ga(1) atoms. Cu(1) is bonded to six equivalent Mn(1), four equivalent Cu(1), and two equivalent Ga(1) atoms to form CuMn6Ga2Cu4 cuboctahedra that share corners with four equivalent Ga(1)Mn6Cu6 cuboctahedra, corners with fourteen equivalent Cu(1)Mn6Ga2Cu4 cuboctahedra, edges with six equivalent Cu(1)Mn6Ga2Cu4 cuboctahedra, faces with six equivalent Ga(1)Mn6Cu6 cuboctahedra, and faces with twelve equivalent Cu(1)Mn6Ga2Cu4 cuboctahedra. Ga(1) is bonded to six equivalent Mn(1) and six equivalent Cu(1) atoms to form GaMn6Cu6 cuboctahedra that share corners with twelve equivalent Cu(1)Mn6Ga2Cu4 cuboctahedra, edges with six equivalent Ga(1)Mn6Cu6 cuboctahedra, faces with two equivalent Ga(1)Mn6Cu6 cuboctahedra, and faces with eighteen equivalent Cu(1)Mn6Ga2Cu4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2GaCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.887
_cell_length_b   4.887
_cell_length_c   7.817
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   161.659
_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  0.333  0.667  0.438  1.0
  Mn  Mn1  1  0.667  0.333  0.562  1.0
  Mn  Mn2  1  0.667  0.333  0.938  1.0
  Mn  Mn3  1  0.333  0.667  0.062  1.0
  Ga  Ga4  1  0.000  0.000  0.500  1.0
  Ga  Ga5  1  0.000  0.000  0.000  1.0
  Cu  Cu6  1  0.829  0.171  0.250  1.0
  Cu  Cu7  1  0.829  0.657  0.250  1.0
  Cu  Cu8  1  0.343  0.171  0.250  1.0
  Cu  Cu9  1  0.171  0.829  0.750  1.0
  Cu  Cu10  1  0.171  0.343  0.750  1.0
  Cu  Cu11  1  0.657  0.829  0.750  1.0
[/CIF]
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The material structure described by Mn2Cu3Ga is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Mn(1) is bonded in a 16-coordinate geometry to four equivalent Mn(1), nine equivalent Cu(1), and three equivalent Ga(1) atoms. Cu(1) is bonded to six equivalent Mn(1), four equivalent Cu(1), and two equivalent Ga(1) atoms to form CuMn6Ga2Cu4 cuboctahedra that share corners with four equivalent Ga(1)Mn6Cu6 cuboctahedra, corners with fourteen equivalent Cu(1)Mn6Ga2Cu4 cuboctahedra, edges with six equivalent Cu(1)Mn6Ga2Cu4 cuboctahedra, faces with six equivalent Ga(1)Mn6Cu6 cuboctahedra, and faces with twelve equivalent Cu(1)Mn6Ga2Cu4 cuboctahedra. Ga(1) is bonded to six equivalent Mn(1) and six equivalent Cu(1) atoms to form GaMn6Cu6 cuboctahedra that share corners with twelve equivalent Cu(1)Mn6Ga2Cu4 cuboctahedra, edges with six equivalent Ga(1)Mn6Cu6 cuboctahedra, faces with two equivalent Ga(1)Mn6Cu6 cuboctahedra, and faces with eighteen equivalent Cu(1)Mn6Ga2Cu4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2GaCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.887
_cell_length_b   4.887
_cell_length_c   7.817
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   161.659
_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  0.333  0.667  0.438  1.0
  Mn  Mn1  1  0.667  0.333  0.562  1.0
  Mn  Mn2  1  0.667  0.333  0.938  1.0
  Mn  Mn3  1  0.333  0.667  0.062  1.0
  Ga  Ga4  1  0.000  0.000  0.500  1.0
  Ga  Ga5  1  0.000  0.000  0.000  1.0
  Cu  Cu6  1  0.829  0.171  0.250  1.0
  Cu  Cu7  1  0.829  0.657  0.250  1.0
  Cu  Cu8  1  0.343  0.171  0.250  1.0
  Cu  Cu9  1  0.171  0.829  0.750  1.0
  Cu  Cu10  1  0.171  0.343  0.750  1.0
  Cu  Cu11  1  0.657  0.829  0.750  1.0
[/CIF]
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