The structure described by Nd(FeGa2)4 is Hexagonal Laves-derived structured and crystallizes in the tetragonal I4/mmm space group. Nd(1) is bonded in a 20-coordinate geometry to eight equivalent Fe(1), four equivalent Ga(1), and eight equivalent Ga(2) atoms. Fe(1) is bonded to two equivalent Nd(1), two equivalent Fe(1), four equivalent Ga(1), and four equivalent Ga(2) atoms to form distorted FeNd2Ga8Fe2 cuboctahedra that share corners with eight equivalent Ga(2)Nd2Ga6Fe4 cuboctahedra, corners with ten equivalent Fe(1)Nd2Ga8Fe2 cuboctahedra, edges with four equivalent Fe(1)Nd2Ga8Fe2 cuboctahedra, edges with four equivalent Ga(2)Nd2Ga6Fe4 cuboctahedra, faces with six equivalent Fe(1)Nd2Ga8Fe2 cuboctahedra, and faces with eight equivalent Ga(2)Nd2Ga6Fe4 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to one Nd(1), four equivalent Fe(1), one Ga(1), and four equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded to two equivalent Nd(1), four equivalent Fe(1), two equivalent Ga(2), and four equivalent Ga(1) atoms to form distorted GaNd2Ga6Fe4 cuboctahedra that share corners with eight equivalent Fe(1)Nd2Ga8Fe2 cuboctahedra, corners with ten equivalent Ga(2)Nd2Ga6Fe4 cuboctahedra, edges with three equivalent Ga(2)Nd2Ga6Fe4 cuboctahedra, edges with four equivalent Fe(1)Nd2Ga8Fe2 cuboctahedra, faces with seven equivalent Ga(2)Nd2Ga6Fe4 cuboctahedra, and faces with eight equivalent Fe(1)Nd2Ga8Fe2 cuboctahedra. is represented by the CIF card [CIF]
data_Nd(Ga2Fe)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.712
_cell_length_b   6.712
_cell_length_c   6.712
_cell_angle_alpha   98.248
_cell_angle_beta   98.248
_cell_angle_gamma   135.487
_symmetry_Int_Tables_number   1
_cell_volume   196.183
_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  0.000  0.000  0.000  1.0
  Ga  Ga1  1  0.341  0.000  0.341  1.0
  Ga  Ga2  1  0.659  0.000  0.659  1.0
  Ga  Ga3  1  0.000  0.341  0.341  1.0
  Ga  Ga4  1  0.000  0.659  0.659  1.0
  Ga  Ga5  1  0.276  0.500  0.776  1.0
  Ga  Ga6  1  0.724  0.500  0.224  1.0
  Ga  Ga7  1  0.500  0.276  0.776  1.0
  Ga  Ga8  1  0.500  0.724  0.224  1.0
  Fe  Fe9  1  0.500  0.500  0.500  1.0
  Fe  Fe10  1  0.000  0.000  0.500  1.0
  Fe  Fe11  1  0.000  0.500  0.000  1.0
  Fe  Fe12  1  0.500  0.000  0.000  1.0
[/CIF]
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The structure described by Nd(FeGa2)4 is Hexagonal Laves-derived structured and crystallizes in the tetragonal I4/mmm space group. Nd(1) is bonded in a 20-coordinate geometry to eight equivalent Fe(1), four equivalent Ga(1), and eight equivalent Ga(2) atoms. Fe(1) is bonded to two equivalent Nd(1), two equivalent Fe(1), four equivalent Ga(1), and four equivalent Ga(2) atoms to form distorted FeNd2Ga8Fe2 cuboctahedra that share corners with eight equivalent Ga(2)Nd2Ga6Fe4 cuboctahedra, corners with ten equivalent Fe(1)Nd2Ga8Fe2 cuboctahedra, edges with four equivalent Fe(1)Nd2Ga8Fe2 cuboctahedra, edges with four equivalent Ga(2)Nd2Ga6Fe4 cuboctahedra, faces with six equivalent Fe(1)Nd2Ga8Fe2 cuboctahedra, and faces with eight equivalent Ga(2)Nd2Ga6Fe4 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to one Nd(1), four equivalent Fe(1), one Ga(1), and four equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded to two equivalent Nd(1), four equivalent Fe(1), two equivalent Ga(2), and four equivalent Ga(1) atoms to form distorted GaNd2Ga6Fe4 cuboctahedra that share corners with eight equivalent Fe(1)Nd2Ga8Fe2 cuboctahedra, corners with ten equivalent Ga(2)Nd2Ga6Fe4 cuboctahedra, edges with three equivalent Ga(2)Nd2Ga6Fe4 cuboctahedra, edges with four equivalent Fe(1)Nd2Ga8Fe2 cuboctahedra, faces with seven equivalent Ga(2)Nd2Ga6Fe4 cuboctahedra, and faces with eight equivalent Fe(1)Nd2Ga8Fe2 cuboctahedra. is represented by the CIF card [CIF]
data_Nd(Ga2Fe)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.712
_cell_length_b   6.712
_cell_length_c   6.712
_cell_angle_alpha   98.248
_cell_angle_beta   98.248
_cell_angle_gamma   135.487
_symmetry_Int_Tables_number   1
_cell_volume   196.183
_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  0.000  0.000  0.000  1.0
  Ga  Ga1  1  0.341  0.000  0.341  1.0
  Ga  Ga2  1  0.659  0.000  0.659  1.0
  Ga  Ga3  1  0.000  0.341  0.341  1.0
  Ga  Ga4  1  0.000  0.659  0.659  1.0
  Ga  Ga5  1  0.276  0.500  0.776  1.0
  Ga  Ga6  1  0.724  0.500  0.224  1.0
  Ga  Ga7  1  0.500  0.276  0.776  1.0
  Ga  Ga8  1  0.500  0.724  0.224  1.0
  Fe  Fe9  1  0.500  0.500  0.500  1.0
  Fe  Fe10  1  0.000  0.000  0.500  1.0
  Fe  Fe11  1  0.000  0.500  0.000  1.0
  Fe  Fe12  1  0.500  0.000  0.000  1.0
[/CIF]
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