The material described by Y2Fe15Ga2 crystallizes in the trigonal R-3m space group. Y(1) is bonded in a 19-coordinate geometry to three equivalent Fe(1), six equivalent Fe(2), nine equivalent Fe(3), and one Ga(1) atom. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Y(1), four equivalent Fe(2), four equivalent Fe(3), and two equivalent Ga(1) atoms to form distorted FeY2Ga2Fe8 cuboctahedra that share corners with four equivalent Fe(1)Y2Ga2Fe8 cuboctahedra, corners with ten equivalent Fe(3)Y3GaFe8 cuboctahedra, edges with six equivalent Fe(3)Y3GaFe8 cuboctahedra, faces with four equivalent Fe(1)Y2Ga2Fe8 cuboctahedra, and faces with six equivalent Fe(3)Y3GaFe8 cuboctahedra. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to two equivalent Y(1), two equivalent Fe(1), two equivalent Fe(2), four equivalent Fe(3), and two equivalent Ga(1) atoms. In the third Fe site, Fe(3) is bonded to three equivalent Y(1), two equivalent Fe(1), two equivalent Fe(3), four equivalent Fe(2), and one Ga(1) atom to form FeY3GaFe8 cuboctahedra that share corners with five equivalent Fe(1)Y2Ga2Fe8 cuboctahedra, corners with ten equivalent Fe(3)Y3GaFe8 cuboctahedra, edges with three equivalent Fe(1)Y2Ga2Fe8 cuboctahedra, edges with five equivalent Fe(3)Y3GaFe8 cuboctahedra, faces with three equivalent Fe(1)Y2Ga2Fe8 cuboctahedra, and faces with seven equivalent Fe(3)Y3GaFe8 cuboctahedra. Ga(1) is bonded in a 14-coordinate geometry to one Y(1), three equivalent Fe(1), three equivalent Fe(3), six equivalent Fe(2), and one Ga(1) atom. is represented by the CIF file [CIF]
data_Y2Ga2Fe15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.416
_cell_length_b   6.416
_cell_length_c   6.416
_cell_angle_alpha   82.418
_cell_angle_beta   82.418
_cell_angle_gamma   82.418
_symmetry_Int_Tables_number   1
_cell_volume   257.780
_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
  Y  Y0  1  0.653  0.653  0.653  1.0
  Y  Y1  1  0.347  0.347  0.347  1.0
  Ga  Ga2  1  0.897  0.897  0.897  1.0
  Ga  Ga3  1  0.103  0.103  0.103  1.0
  Fe  Fe4  1  0.000  0.000  0.500  1.0
  Fe  Fe5  1  0.000  0.500  0.000  1.0
  Fe  Fe6  1  0.500  0.000  0.000  1.0
  Fe  Fe7  1  0.299  0.701  0.000  1.0
  Fe  Fe8  1  0.701  0.000  0.299  1.0
  Fe  Fe9  1  0.000  0.299  0.701  1.0
  Fe  Fe10  1  0.299  0.000  0.701  1.0
  Fe  Fe11  1  0.000  0.701  0.299  1.0
  Fe  Fe12  1  0.701  0.299  0.000  1.0
  Fe  Fe13  1  0.342  0.342  0.840  1.0
  Fe  Fe14  1  0.342  0.840  0.342  1.0
  Fe  Fe15  1  0.840  0.342  0.342  1.0
  Fe  Fe16  1  0.658  0.658  0.160  1.0
  Fe  Fe17  1  0.658  0.160  0.658  1.0
  Fe  Fe18  1  0.160  0.658  0.658  1.0
[/CIF]
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The material described by Y2Fe15Ga2 crystallizes in the trigonal R-3m space group. Y(1) is bonded in a 19-coordinate geometry to three equivalent Fe(1), six equivalent Fe(2), nine equivalent Fe(3), and one Ga(1) atom. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Y(1), four equivalent Fe(2), four equivalent Fe(3), and two equivalent Ga(1) atoms to form distorted FeY2Ga2Fe8 cuboctahedra that share corners with four equivalent Fe(1)Y2Ga2Fe8 cuboctahedra, corners with ten equivalent Fe(3)Y3GaFe8 cuboctahedra, edges with six equivalent Fe(3)Y3GaFe8 cuboctahedra, faces with four equivalent Fe(1)Y2Ga2Fe8 cuboctahedra, and faces with six equivalent Fe(3)Y3GaFe8 cuboctahedra. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to two equivalent Y(1), two equivalent Fe(1), two equivalent Fe(2), four equivalent Fe(3), and two equivalent Ga(1) atoms. In the third Fe site, Fe(3) is bonded to three equivalent Y(1), two equivalent Fe(1), two equivalent Fe(3), four equivalent Fe(2), and one Ga(1) atom to form FeY3GaFe8 cuboctahedra that share corners with five equivalent Fe(1)Y2Ga2Fe8 cuboctahedra, corners with ten equivalent Fe(3)Y3GaFe8 cuboctahedra, edges with three equivalent Fe(1)Y2Ga2Fe8 cuboctahedra, edges with five equivalent Fe(3)Y3GaFe8 cuboctahedra, faces with three equivalent Fe(1)Y2Ga2Fe8 cuboctahedra, and faces with seven equivalent Fe(3)Y3GaFe8 cuboctahedra. Ga(1) is bonded in a 14-coordinate geometry to one Y(1), three equivalent Fe(1), three equivalent Fe(3), six equivalent Fe(2), and one Ga(1) atom. is represented by the CIF file [CIF]
data_Y2Ga2Fe15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.416
_cell_length_b   6.416
_cell_length_c   6.416
_cell_angle_alpha   82.418
_cell_angle_beta   82.418
_cell_angle_gamma   82.418
_symmetry_Int_Tables_number   1
_cell_volume   257.780
_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
  Y  Y0  1  0.653  0.653  0.653  1.0
  Y  Y1  1  0.347  0.347  0.347  1.0
  Ga  Ga2  1  0.897  0.897  0.897  1.0
  Ga  Ga3  1  0.103  0.103  0.103  1.0
  Fe  Fe4  1  0.000  0.000  0.500  1.0
  Fe  Fe5  1  0.000  0.500  0.000  1.0
  Fe  Fe6  1  0.500  0.000  0.000  1.0
  Fe  Fe7  1  0.299  0.701  0.000  1.0
  Fe  Fe8  1  0.701  0.000  0.299  1.0
  Fe  Fe9  1  0.000  0.299  0.701  1.0
  Fe  Fe10  1  0.299  0.000  0.701  1.0
  Fe  Fe11  1  0.000  0.701  0.299  1.0
  Fe  Fe12  1  0.701  0.299  0.000  1.0
  Fe  Fe13  1  0.342  0.342  0.840  1.0
  Fe  Fe14  1  0.342  0.840  0.342  1.0
  Fe  Fe15  1  0.840  0.342  0.342  1.0
  Fe  Fe16  1  0.658  0.658  0.160  1.0
  Fe  Fe17  1  0.658  0.160  0.658  1.0
  Fe  Fe18  1  0.160  0.658  0.658  1.0
[/CIF]
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