The material described by MgNd5Al4 is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. Mg(1) is bonded in a body-centered cubic geometry to eight equivalent Nd(1) atoms. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a distorted body-centered cubic geometry to four equivalent Mg(1) and four equivalent Al(1) atoms. In the second Nd site, Nd(2) is bonded in a body-centered cubic geometry to four equivalent Al(1) and four equivalent Al(2) atoms. In the third Nd site, Nd(3) is bonded in a body-centered cubic geometry to eight equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a body-centered cubic geometry to four equivalent Nd(1) and four equivalent Nd(2) atoms. In the second Al site, Al(2) is bonded in a body-centered cubic geometry to four equivalent Nd(2) and four equivalent Nd(3) atoms. is represented by the CIF file [CIF]
data_Nd5MgAl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.727
_cell_length_b   3.727
_cell_length_c   19.084
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   265.101
_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  0.500  0.500  0.109  1.0
  Nd  Nd1  1  0.500  0.500  0.304  1.0
  Nd  Nd2  1  0.500  0.500  0.500  1.0
  Nd  Nd3  1  0.500  0.500  0.696  1.0
  Nd  Nd4  1  0.500  0.500  0.891  1.0
  Mg  Mg5  1  0.000  0.000  0.000  1.0
  Al  Al6  1  0.000  0.000  0.203  1.0
  Al  Al7  1  0.000  0.000  0.402  1.0
  Al  Al8  1  0.000  0.000  0.598  1.0
  Al  Al9  1  0.000  0.000  0.797  1.0
[/CIF]
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The material described by MgNd5Al4 is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. Mg(1) is bonded in a body-centered cubic geometry to eight equivalent Nd(1) atoms. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a distorted body-centered cubic geometry to four equivalent Mg(1) and four equivalent Al(1) atoms. In the second Nd site, Nd(2) is bonded in a body-centered cubic geometry to four equivalent Al(1) and four equivalent Al(2) atoms. In the third Nd site, Nd(3) is bonded in a body-centered cubic geometry to eight equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a body-centered cubic geometry to four equivalent Nd(1) and four equivalent Nd(2) atoms. In the second Al site, Al(2) is bonded in a body-centered cubic geometry to four equivalent Nd(2) and four equivalent Nd(3) atoms. is represented by the CIF file [CIF]
data_Nd5MgAl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.727
_cell_length_b   3.727
_cell_length_c   19.084
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   265.101
_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  0.500  0.500  0.109  1.0
  Nd  Nd1  1  0.500  0.500  0.304  1.0
  Nd  Nd2  1  0.500  0.500  0.500  1.0
  Nd  Nd3  1  0.500  0.500  0.696  1.0
  Nd  Nd4  1  0.500  0.500  0.891  1.0
  Mg  Mg5  1  0.000  0.000  0.000  1.0
  Al  Al6  1  0.000  0.000  0.203  1.0
  Al  Al7  1  0.000  0.000  0.402  1.0
  Al  Al8  1  0.000  0.000  0.598  1.0
  Al  Al9  1  0.000  0.000  0.797  1.0
[/CIF]
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