The compound described by Nd(CrAl2)4 crystallizes in the tetragonal I4/mmm space group. Nd(1) is bonded in a 20-coordinate geometry to eight equivalent Cr(1), four equivalent Al(1), and eight equivalent Al(2) atoms. Cr(1) is bonded to two equivalent Nd(1), two equivalent Cr(1), four equivalent Al(1), and four equivalent Al(2) atoms to form distorted CrNd2Al8Cr2 cuboctahedra that share corners with eight equivalent Al(2)Nd2Al6Cr4 cuboctahedra, corners with ten equivalent Cr(1)Nd2Al8Cr2 cuboctahedra, edges with four equivalent Cr(1)Nd2Al8Cr2 cuboctahedra, edges with four equivalent Al(2)Nd2Al6Cr4 cuboctahedra, faces with six equivalent Cr(1)Nd2Al8Cr2 cuboctahedra, and faces with eight equivalent Al(2)Nd2Al6Cr4 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Nd(1), four equivalent Cr(1), one Al(1), and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded to two equivalent Nd(1), four equivalent Cr(1), two equivalent Al(2), and four equivalent Al(1) atoms to form distorted AlNd2Al6Cr4 cuboctahedra that share corners with eight equivalent Cr(1)Nd2Al8Cr2 cuboctahedra, corners with ten equivalent Al(2)Nd2Al6Cr4 cuboctahedra, edges with three equivalent Al(2)Nd2Al6Cr4 cuboctahedra, edges with four equivalent Cr(1)Nd2Al8Cr2 cuboctahedra, faces with seven equivalent Al(2)Nd2Al6Cr4 cuboctahedra, and faces with eight equivalent Cr(1)Nd2Al8Cr2 cuboctahedra. is represented by the CIF file [CIF]
data_Nd(Al2Cr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.060
_cell_length_b   6.849
_cell_length_c   6.849
_cell_angle_alpha   82.157
_cell_angle_beta   68.321
_cell_angle_gamma   68.321
_symmetry_Int_Tables_number   1
_cell_volume   204.968
_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
  Al  Al1  1  0.000  0.341  0.659  1.0
  Al  Al2  1  0.000  0.659  0.341  1.0
  Al  Al3  1  0.659  0.341  0.341  1.0
  Al  Al4  1  0.341  0.659  0.659  1.0
  Al  Al5  1  0.500  0.774  0.226  1.0
  Al  Al6  1  0.500  0.226  0.774  1.0
  Al  Al7  1  0.726  0.774  0.774  1.0
  Al  Al8  1  0.274  0.226  0.226  1.0
  Cr  Cr9  1  0.000  0.000  0.500  1.0
  Cr  Cr10  1  0.500  0.000  0.500  1.0
  Cr  Cr11  1  0.500  0.500  0.000  1.0
  Cr  Cr12  1  0.000  0.500  0.000  1.0
[/CIF]
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The compound described by Nd(CrAl2)4 crystallizes in the tetragonal I4/mmm space group. Nd(1) is bonded in a 20-coordinate geometry to eight equivalent Cr(1), four equivalent Al(1), and eight equivalent Al(2) atoms. Cr(1) is bonded to two equivalent Nd(1), two equivalent Cr(1), four equivalent Al(1), and four equivalent Al(2) atoms to form distorted CrNd2Al8Cr2 cuboctahedra that share corners with eight equivalent Al(2)Nd2Al6Cr4 cuboctahedra, corners with ten equivalent Cr(1)Nd2Al8Cr2 cuboctahedra, edges with four equivalent Cr(1)Nd2Al8Cr2 cuboctahedra, edges with four equivalent Al(2)Nd2Al6Cr4 cuboctahedra, faces with six equivalent Cr(1)Nd2Al8Cr2 cuboctahedra, and faces with eight equivalent Al(2)Nd2Al6Cr4 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Nd(1), four equivalent Cr(1), one Al(1), and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded to two equivalent Nd(1), four equivalent Cr(1), two equivalent Al(2), and four equivalent Al(1) atoms to form distorted AlNd2Al6Cr4 cuboctahedra that share corners with eight equivalent Cr(1)Nd2Al8Cr2 cuboctahedra, corners with ten equivalent Al(2)Nd2Al6Cr4 cuboctahedra, edges with three equivalent Al(2)Nd2Al6Cr4 cuboctahedra, edges with four equivalent Cr(1)Nd2Al8Cr2 cuboctahedra, faces with seven equivalent Al(2)Nd2Al6Cr4 cuboctahedra, and faces with eight equivalent Cr(1)Nd2Al8Cr2 cuboctahedra. is represented by the CIF file [CIF]
data_Nd(Al2Cr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.060
_cell_length_b   6.849
_cell_length_c   6.849
_cell_angle_alpha   82.157
_cell_angle_beta   68.321
_cell_angle_gamma   68.321
_symmetry_Int_Tables_number   1
_cell_volume   204.968
_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
  Al  Al1  1  0.000  0.341  0.659  1.0
  Al  Al2  1  0.000  0.659  0.341  1.0
  Al  Al3  1  0.659  0.341  0.341  1.0
  Al  Al4  1  0.341  0.659  0.659  1.0
  Al  Al5  1  0.500  0.774  0.226  1.0
  Al  Al6  1  0.500  0.226  0.774  1.0
  Al  Al7  1  0.726  0.774  0.774  1.0
  Al  Al8  1  0.274  0.226  0.226  1.0
  Cr  Cr9  1  0.000  0.000  0.500  1.0
  Cr  Cr10  1  0.500  0.000  0.500  1.0
  Cr  Cr11  1  0.500  0.500  0.000  1.0
  Cr  Cr12  1  0.000  0.500  0.000  1.0
[/CIF]
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