The compound described by Nd2GaAl3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to two equivalent Ga(1), two equivalent Al(3), four equivalent Al(1), and four equivalent Al(2) atoms to form NdAl10Ga2 cuboctahedra that share edges with four equivalent Nd(1)Al10Ga2 cuboctahedra, edges with eight equivalent Nd(2)Al8Ga4 cuboctahedra, faces with four equivalent Nd(1)Al10Ga2 cuboctahedra, and faces with four equivalent Nd(2)Al8Ga4 cuboctahedra. In the second Nd site, Nd(2) is bonded to four equivalent Ga(1), two equivalent Al(1), two equivalent Al(2), and four equivalent Al(3) atoms to form NdAl8Ga4 cuboctahedra that share edges with four equivalent Nd(2)Al8Ga4 cuboctahedra, edges with eight equivalent Nd(1)Al10Ga2 cuboctahedra, faces with four equivalent Nd(1)Al10Ga2 cuboctahedra, and faces with four equivalent Nd(2)Al8Ga4 cuboctahedra. Ga(1) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one Al(3), and two equivalent Al(2) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 9-coordinate geometry to two equivalent Nd(2), four equivalent Nd(1), one Al(2), and two equivalent Al(3) atoms. In the second Al site, Al(2) is bonded in a 9-coordinate geometry to two equivalent Nd(2), four equivalent Nd(1), two equivalent Ga(1), and one Al(1) atom. In the third Al site, Al(3) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one Ga(1), and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_Nd2Al3Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.851
_cell_length_b   4.512
_cell_length_c   7.842
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   136.252
_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  0.500  0.002  1.0
  Nd  Nd1  1  0.000  0.000  0.498  1.0
  Al  Al2  1  0.500  0.000  0.833  1.0
  Al  Al3  1  0.500  0.000  0.168  1.0
  Al  Al4  1  0.500  0.500  0.664  1.0
  Ga  Ga5  1  0.500  0.500  0.335  1.0
[/CIF]
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The compound described by Nd2GaAl3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to two equivalent Ga(1), two equivalent Al(3), four equivalent Al(1), and four equivalent Al(2) atoms to form NdAl10Ga2 cuboctahedra that share edges with four equivalent Nd(1)Al10Ga2 cuboctahedra, edges with eight equivalent Nd(2)Al8Ga4 cuboctahedra, faces with four equivalent Nd(1)Al10Ga2 cuboctahedra, and faces with four equivalent Nd(2)Al8Ga4 cuboctahedra. In the second Nd site, Nd(2) is bonded to four equivalent Ga(1), two equivalent Al(1), two equivalent Al(2), and four equivalent Al(3) atoms to form NdAl8Ga4 cuboctahedra that share edges with four equivalent Nd(2)Al8Ga4 cuboctahedra, edges with eight equivalent Nd(1)Al10Ga2 cuboctahedra, faces with four equivalent Nd(1)Al10Ga2 cuboctahedra, and faces with four equivalent Nd(2)Al8Ga4 cuboctahedra. Ga(1) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one Al(3), and two equivalent Al(2) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 9-coordinate geometry to two equivalent Nd(2), four equivalent Nd(1), one Al(2), and two equivalent Al(3) atoms. In the second Al site, Al(2) is bonded in a 9-coordinate geometry to two equivalent Nd(2), four equivalent Nd(1), two equivalent Ga(1), and one Al(1) atom. In the third Al site, Al(3) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one Ga(1), and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_Nd2Al3Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.851
_cell_length_b   4.512
_cell_length_c   7.842
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   136.252
_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  0.500  0.002  1.0
  Nd  Nd1  1  0.000  0.000  0.498  1.0
  Al  Al2  1  0.500  0.000  0.833  1.0
  Al  Al3  1  0.500  0.000  0.168  1.0
  Al  Al4  1  0.500  0.500  0.664  1.0
  Ga  Ga5  1  0.500  0.500  0.335  1.0
[/CIF]
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