The material structure described by NdCoAl4 crystallizes in the orthorhombic Pmma space group. Nd(1) is bonded in a 13-coordinate geometry to one Co(1), two equivalent Al(1), two equivalent Al(2), and eight equivalent Al(3) atoms. Co(1) is bonded in a 9-coordinate geometry to one Nd(1), two equivalent Al(1), two equivalent Al(2), and four equivalent Al(3) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted linear geometry to two equivalent Nd(1), two equivalent Co(1), four equivalent Al(2), and four equivalent Al(3) atoms. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to two equivalent Nd(1), two equivalent Co(1), four equivalent Al(1), and four equivalent Al(3) atoms. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to four equivalent Nd(1), two equivalent Co(1), two equivalent Al(1), two equivalent Al(2), and two equivalent Al(3) atoms. is represented by the CIF card [CIF]
data_NdAl4Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.011
_cell_length_b   6.855
_cell_length_c   7.628
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   209.757
_cell_formula_units_Z   2
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  0.385  0.750  1.0
  Nd  Nd1  1  0.000  0.615  0.250  1.0
  Al  Al2  1  0.000  0.000  0.500  1.0
  Al  Al3  1  0.000  0.000  0.000  1.0
  Al  Al4  1  0.500  0.041  0.750  1.0
  Al  Al5  1  0.500  0.959  0.250  1.0
  Al  Al6  1  0.500  0.297  0.071  1.0
  Al  Al7  1  0.500  0.703  0.929  1.0
  Al  Al8  1  0.500  0.297  0.429  1.0
  Al  Al9  1  0.500  0.703  0.571  1.0
  Co  Co10  1  0.000  0.816  0.750  1.0
  Co  Co11  1  0.000  0.184  0.250  1.0
[/CIF]
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The material structure described by NdCoAl4 crystallizes in the orthorhombic Pmma space group. Nd(1) is bonded in a 13-coordinate geometry to one Co(1), two equivalent Al(1), two equivalent Al(2), and eight equivalent Al(3) atoms. Co(1) is bonded in a 9-coordinate geometry to one Nd(1), two equivalent Al(1), two equivalent Al(2), and four equivalent Al(3) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted linear geometry to two equivalent Nd(1), two equivalent Co(1), four equivalent Al(2), and four equivalent Al(3) atoms. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to two equivalent Nd(1), two equivalent Co(1), four equivalent Al(1), and four equivalent Al(3) atoms. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to four equivalent Nd(1), two equivalent Co(1), two equivalent Al(1), two equivalent Al(2), and two equivalent Al(3) atoms. is represented by the CIF card [CIF]
data_NdAl4Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.011
_cell_length_b   6.855
_cell_length_c   7.628
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   209.757
_cell_formula_units_Z   2
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  0.385  0.750  1.0
  Nd  Nd1  1  0.000  0.615  0.250  1.0
  Al  Al2  1  0.000  0.000  0.500  1.0
  Al  Al3  1  0.000  0.000  0.000  1.0
  Al  Al4  1  0.500  0.041  0.750  1.0
  Al  Al5  1  0.500  0.959  0.250  1.0
  Al  Al6  1  0.500  0.297  0.071  1.0
  Al  Al7  1  0.500  0.703  0.929  1.0
  Al  Al8  1  0.500  0.297  0.429  1.0
  Al  Al9  1  0.500  0.703  0.571  1.0
  Co  Co10  1  0.000  0.816  0.750  1.0
  Co  Co11  1  0.000  0.184  0.250  1.0
[/CIF]
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