The compound described by Nd2GaAl3 is Cubic Laves-derived structured and crystallizes in the trigonal R-3m space group. Nd(1) is bonded in a 12-coordinate geometry to three equivalent Ga(1) and nine equivalent Al(1) atoms. Ga(1) is bonded to six equivalent Nd(1) and six equivalent Al(1) atoms to form GaNd6Al6 cuboctahedra that share corners with six equivalent Ga(1)Nd6Al6 cuboctahedra, corners with twelve equivalent Al(1)Nd6Al4Ga2 cuboctahedra, edges with six equivalent Ga(1)Nd6Al6 cuboctahedra, and faces with eighteen equivalent Al(1)Nd6Al4Ga2 cuboctahedra. Al(1) is bonded to six equivalent Nd(1), two equivalent Ga(1), and four equivalent Al(1) atoms to form AlNd6Al4Ga2 cuboctahedra that share corners with four equivalent Ga(1)Nd6Al6 cuboctahedra, corners with fourteen equivalent Al(1)Nd6Al4Ga2 cuboctahedra, edges with six equivalent Al(1)Nd6Al4Ga2 cuboctahedra, faces with six equivalent Ga(1)Nd6Al6 cuboctahedra, and faces with twelve equivalent Al(1)Nd6Al4Ga2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2Al3Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.690
_cell_length_b   5.690
_cell_length_c   5.690
_cell_angle_alpha   59.726
_cell_angle_beta   59.726
_cell_angle_gamma   59.726
_symmetry_Int_Tables_number   1
_cell_volume   129.418
_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  0.125  0.125  0.125  1.0
  Nd  Nd1  1  0.875  0.875  0.875  1.0
  Al  Al2  1  0.500  0.000  0.500  1.0
  Al  Al3  1  0.000  0.500  0.500  1.0
  Al  Al4  1  0.500  0.500  0.000  1.0
  Ga  Ga5  1  0.500  0.500  0.500  1.0
[/CIF]
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The compound described by Nd2GaAl3 is Cubic Laves-derived structured and crystallizes in the trigonal R-3m space group. Nd(1) is bonded in a 12-coordinate geometry to three equivalent Ga(1) and nine equivalent Al(1) atoms. Ga(1) is bonded to six equivalent Nd(1) and six equivalent Al(1) atoms to form GaNd6Al6 cuboctahedra that share corners with six equivalent Ga(1)Nd6Al6 cuboctahedra, corners with twelve equivalent Al(1)Nd6Al4Ga2 cuboctahedra, edges with six equivalent Ga(1)Nd6Al6 cuboctahedra, and faces with eighteen equivalent Al(1)Nd6Al4Ga2 cuboctahedra. Al(1) is bonded to six equivalent Nd(1), two equivalent Ga(1), and four equivalent Al(1) atoms to form AlNd6Al4Ga2 cuboctahedra that share corners with four equivalent Ga(1)Nd6Al6 cuboctahedra, corners with fourteen equivalent Al(1)Nd6Al4Ga2 cuboctahedra, edges with six equivalent Al(1)Nd6Al4Ga2 cuboctahedra, faces with six equivalent Ga(1)Nd6Al6 cuboctahedra, and faces with twelve equivalent Al(1)Nd6Al4Ga2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2Al3Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.690
_cell_length_b   5.690
_cell_length_c   5.690
_cell_angle_alpha   59.726
_cell_angle_beta   59.726
_cell_angle_gamma   59.726
_symmetry_Int_Tables_number   1
_cell_volume   129.418
_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  0.125  0.125  0.125  1.0
  Nd  Nd1  1  0.875  0.875  0.875  1.0
  Al  Al2  1  0.500  0.000  0.500  1.0
  Al  Al3  1  0.000  0.500  0.500  1.0
  Al  Al4  1  0.500  0.500  0.000  1.0
  Ga  Ga5  1  0.500  0.500  0.500  1.0
[/CIF]
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