The material described by Fe3Ga is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Fe(1) is bonded to eight equivalent Fe(1) and four equivalent Ga(1) atoms to form FeGa4Fe8 cuboctahedra that share corners with four equivalent Ga(1)Fe12 cuboctahedra, corners with fourteen equivalent Fe(1)Ga4Fe8 cuboctahedra, edges with six equivalent Ga(1)Fe12 cuboctahedra, edges with twelve equivalent Fe(1)Ga4Fe8 cuboctahedra, faces with four equivalent Ga(1)Fe12 cuboctahedra, and faces with sixteen equivalent Fe(1)Ga4Fe8 cuboctahedra. Ga(1) is bonded to twelve equivalent Fe(1) atoms to form GaFe12 cuboctahedra that share corners with six equivalent Ga(1)Fe12 cuboctahedra, corners with twelve equivalent Fe(1)Ga4Fe8 cuboctahedra, edges with eighteen equivalent Fe(1)Ga4Fe8 cuboctahedra, faces with eight equivalent Ga(1)Fe12 cuboctahedra, and faces with twelve equivalent Fe(1)Ga4Fe8 cuboctahedra. is represented by the CIF file [CIF]
data_GaFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.218
_cell_length_b   5.164
_cell_length_c   5.164
_cell_angle_alpha   120.008
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   97.411
_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
  Ga  Ga0  1  0.750  0.667  0.333  1.0
  Ga  Ga1  1  0.250  0.333  0.667  1.0
  Fe  Fe2  1  0.750  0.160  0.319  1.0
  Fe  Fe3  1  0.750  0.160  0.840  1.0
  Fe  Fe4  1  0.750  0.681  0.840  1.0
  Fe  Fe5  1  0.250  0.840  0.681  1.0
  Fe  Fe6  1  0.250  0.840  0.160  1.0
  Fe  Fe7  1  0.250  0.319  0.160  1.0
[/CIF]
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The material described by Fe3Ga is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Fe(1) is bonded to eight equivalent Fe(1) and four equivalent Ga(1) atoms to form FeGa4Fe8 cuboctahedra that share corners with four equivalent Ga(1)Fe12 cuboctahedra, corners with fourteen equivalent Fe(1)Ga4Fe8 cuboctahedra, edges with six equivalent Ga(1)Fe12 cuboctahedra, edges with twelve equivalent Fe(1)Ga4Fe8 cuboctahedra, faces with four equivalent Ga(1)Fe12 cuboctahedra, and faces with sixteen equivalent Fe(1)Ga4Fe8 cuboctahedra. Ga(1) is bonded to twelve equivalent Fe(1) atoms to form GaFe12 cuboctahedra that share corners with six equivalent Ga(1)Fe12 cuboctahedra, corners with twelve equivalent Fe(1)Ga4Fe8 cuboctahedra, edges with eighteen equivalent Fe(1)Ga4Fe8 cuboctahedra, faces with eight equivalent Ga(1)Fe12 cuboctahedra, and faces with twelve equivalent Fe(1)Ga4Fe8 cuboctahedra. is represented by the CIF file [CIF]
data_GaFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.218
_cell_length_b   5.164
_cell_length_c   5.164
_cell_angle_alpha   120.008
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   97.411
_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
  Ga  Ga0  1  0.750  0.667  0.333  1.0
  Ga  Ga1  1  0.250  0.333  0.667  1.0
  Fe  Fe2  1  0.750  0.160  0.319  1.0
  Fe  Fe3  1  0.750  0.160  0.840  1.0
  Fe  Fe4  1  0.750  0.681  0.840  1.0
  Fe  Fe5  1  0.250  0.840  0.681  1.0
  Fe  Fe6  1  0.250  0.840  0.160  1.0
  Fe  Fe7  1  0.250  0.319  0.160  1.0
[/CIF]
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