The compound described by Nd2Au is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to four equivalent Au(1) atoms to form a mixture of distorted corner and edge-sharing NdAu4 tetrahedra. In the second Nd site, Nd(2) is bonded in a 3-coordinate geometry to three equivalent Au(1) atoms. Au(1) is bonded in a 7-coordinate geometry to three equivalent Nd(2) and four equivalent Nd(1) atoms. is represented by the CIF file [CIF]
data_Nd2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.097
_cell_length_b   7.313
_cell_length_c   9.273
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   345.622
_cell_formula_units_Z   4
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  0.750  0.650  0.589  1.0
  Nd  Nd1  1  0.750  0.150  0.911  1.0
  Nd  Nd2  1  0.250  0.350  0.411  1.0
  Nd  Nd3  1  0.250  0.850  0.089  1.0
  Nd  Nd4  1  0.750  0.004  0.327  1.0
  Nd  Nd5  1  0.750  0.504  0.173  1.0
  Nd  Nd6  1  0.250  0.996  0.673  1.0
  Nd  Nd7  1  0.250  0.496  0.827  1.0
  Au  Au8  1  0.750  0.242  0.593  1.0
  Au  Au9  1  0.750  0.742  0.907  1.0
  Au  Au10  1  0.250  0.758  0.407  1.0
  Au  Au11  1  0.250  0.258  0.093  1.0
[/CIF]
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The compound described by Nd2Au is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to four equivalent Au(1) atoms to form a mixture of distorted corner and edge-sharing NdAu4 tetrahedra. In the second Nd site, Nd(2) is bonded in a 3-coordinate geometry to three equivalent Au(1) atoms. Au(1) is bonded in a 7-coordinate geometry to three equivalent Nd(2) and four equivalent Nd(1) atoms. is represented by the CIF file [CIF]
data_Nd2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.097
_cell_length_b   7.313
_cell_length_c   9.273
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   345.622
_cell_formula_units_Z   4
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  0.750  0.650  0.589  1.0
  Nd  Nd1  1  0.750  0.150  0.911  1.0
  Nd  Nd2  1  0.250  0.350  0.411  1.0
  Nd  Nd3  1  0.250  0.850  0.089  1.0
  Nd  Nd4  1  0.750  0.004  0.327  1.0
  Nd  Nd5  1  0.750  0.504  0.173  1.0
  Nd  Nd6  1  0.250  0.996  0.673  1.0
  Nd  Nd7  1  0.250  0.496  0.827  1.0
  Au  Au8  1  0.750  0.242  0.593  1.0
  Au  Au9  1  0.750  0.742  0.907  1.0
  Au  Au10  1  0.250  0.758  0.407  1.0
  Au  Au11  1  0.250  0.258  0.093  1.0
[/CIF]
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