The crystal structure described by Nd(MnAl2)4 crystallizes in the tetragonal I4/mmm space group. Nd(1) is bonded in a 20-coordinate geometry to eight equivalent Mn(1), four equivalent Al(1), and eight equivalent Al(2) atoms. Mn(1) is bonded to two equivalent Nd(1), two equivalent Mn(1), four equivalent Al(1), and four equivalent Al(2) atoms to form distorted MnNd2Mn2Al8 cuboctahedra that share corners with eight equivalent Al(2)Nd2Mn4Al6 cuboctahedra, corners with ten equivalent Mn(1)Nd2Mn2Al8 cuboctahedra, edges with four equivalent Mn(1)Nd2Mn2Al8 cuboctahedra, edges with four equivalent Al(2)Nd2Mn4Al6 cuboctahedra, faces with six equivalent Mn(1)Nd2Mn2Al8 cuboctahedra, and faces with eight equivalent Al(2)Nd2Mn4Al6 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 Mn(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 Mn(1), two equivalent Al(2), and four equivalent Al(1) atoms to form distorted AlNd2Mn4Al6 cuboctahedra that share corners with eight equivalent Mn(1)Nd2Mn2Al8 cuboctahedra, corners with ten equivalent Al(2)Nd2Mn4Al6 cuboctahedra, edges with three equivalent Al(2)Nd2Mn4Al6 cuboctahedra, edges with four equivalent Mn(1)Nd2Mn2Al8 cuboctahedra, faces with seven equivalent Al(2)Nd2Mn4Al6 cuboctahedra, and faces with eight equivalent Mn(1)Nd2Mn2Al8 cuboctahedra. is represented by the CIF card [CIF]
data_Nd(MnAl2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.196
_cell_length_b   6.797
_cell_length_c   6.797
_cell_angle_alpha   81.600
_cell_angle_beta   67.530
_cell_angle_gamma   67.530
_symmetry_Int_Tables_number   1
_cell_volume   205.010
_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
  Mn  Mn1  1  0.000  0.000  0.500  1.0
  Mn  Mn2  1  0.500  0.000  0.500  1.0
  Mn  Mn3  1  0.500  0.500  0.000  1.0
  Mn  Mn4  1  0.000  0.500  0.000  1.0
  Al  Al5  1  0.000  0.340  0.660  1.0
  Al  Al6  1  0.000  0.660  0.340  1.0
  Al  Al7  1  0.660  0.340  0.340  1.0
  Al  Al8  1  0.340  0.660  0.660  1.0
  Al  Al9  1  0.500  0.773  0.227  1.0
  Al  Al10  1  0.500  0.227  0.773  1.0
  Al  Al11  1  0.727  0.773  0.773  1.0
  Al  Al12  1  0.273  0.227  0.227  1.0
[/CIF]
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The crystal structure described by Nd(MnAl2)4 crystallizes in the tetragonal I4/mmm space group. Nd(1) is bonded in a 20-coordinate geometry to eight equivalent Mn(1), four equivalent Al(1), and eight equivalent Al(2) atoms. Mn(1) is bonded to two equivalent Nd(1), two equivalent Mn(1), four equivalent Al(1), and four equivalent Al(2) atoms to form distorted MnNd2Mn2Al8 cuboctahedra that share corners with eight equivalent Al(2)Nd2Mn4Al6 cuboctahedra, corners with ten equivalent Mn(1)Nd2Mn2Al8 cuboctahedra, edges with four equivalent Mn(1)Nd2Mn2Al8 cuboctahedra, edges with four equivalent Al(2)Nd2Mn4Al6 cuboctahedra, faces with six equivalent Mn(1)Nd2Mn2Al8 cuboctahedra, and faces with eight equivalent Al(2)Nd2Mn4Al6 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 Mn(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 Mn(1), two equivalent Al(2), and four equivalent Al(1) atoms to form distorted AlNd2Mn4Al6 cuboctahedra that share corners with eight equivalent Mn(1)Nd2Mn2Al8 cuboctahedra, corners with ten equivalent Al(2)Nd2Mn4Al6 cuboctahedra, edges with three equivalent Al(2)Nd2Mn4Al6 cuboctahedra, edges with four equivalent Mn(1)Nd2Mn2Al8 cuboctahedra, faces with seven equivalent Al(2)Nd2Mn4Al6 cuboctahedra, and faces with eight equivalent Mn(1)Nd2Mn2Al8 cuboctahedra. is represented by the CIF card [CIF]
data_Nd(MnAl2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.196
_cell_length_b   6.797
_cell_length_c   6.797
_cell_angle_alpha   81.600
_cell_angle_beta   67.530
_cell_angle_gamma   67.530
_symmetry_Int_Tables_number   1
_cell_volume   205.010
_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
  Mn  Mn1  1  0.000  0.000  0.500  1.0
  Mn  Mn2  1  0.500  0.000  0.500  1.0
  Mn  Mn3  1  0.500  0.500  0.000  1.0
  Mn  Mn4  1  0.000  0.500  0.000  1.0
  Al  Al5  1  0.000  0.340  0.660  1.0
  Al  Al6  1  0.000  0.660  0.340  1.0
  Al  Al7  1  0.660  0.340  0.340  1.0
  Al  Al8  1  0.340  0.660  0.660  1.0
  Al  Al9  1  0.500  0.773  0.227  1.0
  Al  Al10  1  0.500  0.227  0.773  1.0
  Al  Al11  1  0.727  0.773  0.773  1.0
  Al  Al12  1  0.273  0.227  0.227  1.0
[/CIF]
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