The material described by Nd2Fe15Ga2 crystallizes in the trigonal R-3m space group. Nd(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 Nd(1), four equivalent Fe(2), four equivalent Fe(3), and two equivalent Ga(1) atoms to form distorted FeNd2Ga2Fe8 cuboctahedra that share corners with four equivalent Fe(1)Nd2Ga2Fe8 cuboctahedra, corners with eight equivalent Fe(2)Nd2Ga2Fe8 cuboctahedra, corners with ten equivalent Fe(3)Nd3GaFe8 cuboctahedra, edges with four equivalent Fe(2)Nd2Ga2Fe8 cuboctahedra, edges with six equivalent Fe(3)Nd3GaFe8 cuboctahedra, faces with four equivalent Fe(1)Nd2Ga2Fe8 cuboctahedra, faces with six equivalent Fe(3)Nd3GaFe8 cuboctahedra, and faces with eight equivalent Fe(2)Nd2Ga2Fe8 cuboctahedra. In the second Fe site, Fe(2) is bonded to two equivalent Nd(1), two equivalent Fe(1), two equivalent Fe(2), four equivalent Fe(3), and two equivalent Ga(1) atoms to form distorted FeNd2Ga2Fe8 cuboctahedra that share corners with four equivalent Fe(1)Nd2Ga2Fe8 cuboctahedra, corners with eight equivalent Fe(3)Nd3GaFe8 cuboctahedra, corners with twelve equivalent Fe(2)Nd2Ga2Fe8 cuboctahedra,  an edgeedge with one Fe(2)Nd2Ga2Fe8 cuboctahedra, edges with two equivalent Fe(1)Nd2Ga2Fe8 cuboctahedra, edges with two equivalent Fe(3)Nd3GaFe8 cuboctahedra, faces with four equivalent Fe(1)Nd2Ga2Fe8 cuboctahedra, faces with seven equivalent Fe(2)Nd2Ga2Fe8 cuboctahedra, and faces with ten equivalent Fe(3)Nd3GaFe8 cuboctahedra. In the third Fe site, Fe(3) is bonded to three equivalent Nd(1), two equivalent Fe(1), two equivalent Fe(3), four equivalent Fe(2), and one Ga(1) atom to form FeNd3GaFe8 cuboctahedra that share corners with five equivalent Fe(1)Nd2Ga2Fe8 cuboctahedra, corners with eight equivalent Fe(2)Nd2Ga2Fe8 cuboctahedra, corners with ten equivalent Fe(3)Nd3GaFe8 cuboctahedra, edges with two equivalent Fe(2)Nd2Ga2Fe8 cuboctahedra, edges with three equivalent Fe(1)Nd2Ga2Fe8 cuboctahedra, edges with five equivalent Fe(3)Nd3GaFe8 cuboctahedra, faces with three equivalent Fe(1)Nd2Ga2Fe8 cuboctahedra, faces with seven equivalent Fe(3)Nd3GaFe8 cuboctahedra, and faces with ten equivalent Fe(2)Nd2Ga2Fe8 cuboctahedra. Ga(1) is bonded in a 14-coordinate geometry to one Nd(1), three equivalent Fe(1), three equivalent Fe(3), six equivalent Fe(2), and one Ga(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2Ga2Fe15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.468
_cell_length_b   6.468
_cell_length_c   6.468
_cell_angle_alpha   82.756
_cell_angle_beta   82.756
_cell_angle_gamma   82.756
_symmetry_Int_Tables_number   1
_cell_volume   264.613
_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
  Nd  Nd0  1  0.652  0.652  0.652  1.0
  Nd  Nd1  1  0.348  0.348  0.348  1.0
  Ga  Ga2  1  0.896  0.896  0.896  1.0
  Ga  Ga3  1  0.104  0.104  0.104  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  0.290  0.710  0.000  1.0
  Fe  Fe8  1  0.710  0.000  0.290  1.0
  Fe  Fe9  1  0.000  0.290  0.710  1.0
  Fe  Fe10  1  0.290  0.000  0.710  1.0
  Fe  Fe11  1  0.000  0.710  0.290  1.0
  Fe  Fe12  1  0.710  0.290  0.000  1.0
  Fe  Fe13  1  0.341  0.341  0.844  1.0
  Fe  Fe14  1  0.341  0.844  0.341  1.0
  Fe  Fe15  1  0.844  0.341  0.341  1.0
  Fe  Fe16  1  0.659  0.659  0.156  1.0
  Fe  Fe17  1  0.659  0.156  0.659  1.0
  Fe  Fe18  1  0.156  0.659  0.659  1.0
[/CIF]
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The material described by Nd2Fe15Ga2 crystallizes in the trigonal R-3m space group. Nd(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 Nd(1), four equivalent Fe(2), four equivalent Fe(3), and two equivalent Ga(1) atoms to form distorted FeNd2Ga2Fe8 cuboctahedra that share corners with four equivalent Fe(1)Nd2Ga2Fe8 cuboctahedra, corners with eight equivalent Fe(2)Nd2Ga2Fe8 cuboctahedra, corners with ten equivalent Fe(3)Nd3GaFe8 cuboctahedra, edges with four equivalent Fe(2)Nd2Ga2Fe8 cuboctahedra, edges with six equivalent Fe(3)Nd3GaFe8 cuboctahedra, faces with four equivalent Fe(1)Nd2Ga2Fe8 cuboctahedra, faces with six equivalent Fe(3)Nd3GaFe8 cuboctahedra, and faces with eight equivalent Fe(2)Nd2Ga2Fe8 cuboctahedra. In the second Fe site, Fe(2) is bonded to two equivalent Nd(1), two equivalent Fe(1), two equivalent Fe(2), four equivalent Fe(3), and two equivalent Ga(1) atoms to form distorted FeNd2Ga2Fe8 cuboctahedra that share corners with four equivalent Fe(1)Nd2Ga2Fe8 cuboctahedra, corners with eight equivalent Fe(3)Nd3GaFe8 cuboctahedra, corners with twelve equivalent Fe(2)Nd2Ga2Fe8 cuboctahedra,  an edgeedge with one Fe(2)Nd2Ga2Fe8 cuboctahedra, edges with two equivalent Fe(1)Nd2Ga2Fe8 cuboctahedra, edges with two equivalent Fe(3)Nd3GaFe8 cuboctahedra, faces with four equivalent Fe(1)Nd2Ga2Fe8 cuboctahedra, faces with seven equivalent Fe(2)Nd2Ga2Fe8 cuboctahedra, and faces with ten equivalent Fe(3)Nd3GaFe8 cuboctahedra. In the third Fe site, Fe(3) is bonded to three equivalent Nd(1), two equivalent Fe(1), two equivalent Fe(3), four equivalent Fe(2), and one Ga(1) atom to form FeNd3GaFe8 cuboctahedra that share corners with five equivalent Fe(1)Nd2Ga2Fe8 cuboctahedra, corners with eight equivalent Fe(2)Nd2Ga2Fe8 cuboctahedra, corners with ten equivalent Fe(3)Nd3GaFe8 cuboctahedra, edges with two equivalent Fe(2)Nd2Ga2Fe8 cuboctahedra, edges with three equivalent Fe(1)Nd2Ga2Fe8 cuboctahedra, edges with five equivalent Fe(3)Nd3GaFe8 cuboctahedra, faces with three equivalent Fe(1)Nd2Ga2Fe8 cuboctahedra, faces with seven equivalent Fe(3)Nd3GaFe8 cuboctahedra, and faces with ten equivalent Fe(2)Nd2Ga2Fe8 cuboctahedra. Ga(1) is bonded in a 14-coordinate geometry to one Nd(1), three equivalent Fe(1), three equivalent Fe(3), six equivalent Fe(2), and one Ga(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2Ga2Fe15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.468
_cell_length_b   6.468
_cell_length_c   6.468
_cell_angle_alpha   82.756
_cell_angle_beta   82.756
_cell_angle_gamma   82.756
_symmetry_Int_Tables_number   1
_cell_volume   264.613
_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
  Nd  Nd0  1  0.652  0.652  0.652  1.0
  Nd  Nd1  1  0.348  0.348  0.348  1.0
  Ga  Ga2  1  0.896  0.896  0.896  1.0
  Ga  Ga3  1  0.104  0.104  0.104  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  0.290  0.710  0.000  1.0
  Fe  Fe8  1  0.710  0.000  0.290  1.0
  Fe  Fe9  1  0.000  0.290  0.710  1.0
  Fe  Fe10  1  0.290  0.000  0.710  1.0
  Fe  Fe11  1  0.000  0.710  0.290  1.0
  Fe  Fe12  1  0.710  0.290  0.000  1.0
  Fe  Fe13  1  0.341  0.341  0.844  1.0
  Fe  Fe14  1  0.341  0.844  0.341  1.0
  Fe  Fe15  1  0.844  0.341  0.341  1.0
  Fe  Fe16  1  0.659  0.659  0.156  1.0
  Fe  Fe17  1  0.659  0.156  0.659  1.0
  Fe  Fe18  1  0.156  0.659  0.659  1.0
[/CIF]
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