The material structure described by Nd7Ni3 crystallizes in the hexagonal P6_3mc space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 3-coordinate geometry to three equivalent Ni(1) atoms. In the second Nd site, Nd(3) is bonded in a distorted water-like geometry to two equivalent Ni(1) atoms. In the third Nd site, Nd(2) is bonded in a 3-coordinate geometry to three equivalent Ni(1) atoms. Ni(1) is bonded in a 6-coordinate geometry to one Nd(1), two equivalent Nd(3), and three equivalent Nd(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd7Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.358
_cell_length_b   9.929
_cell_length_c   9.929
_cell_angle_alpha   120.003
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   542.817
_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  0.464  0.333  0.667  1.0
  Nd  Nd1  1  0.964  0.667  0.333  1.0
  Nd  Nd2  1  0.251  0.125  0.875  1.0
  Nd  Nd3  1  0.251  0.749  0.875  1.0
  Nd  Nd4  1  0.251  0.125  0.251  1.0
  Nd  Nd5  1  0.751  0.875  0.125  1.0
  Nd  Nd6  1  0.751  0.251  0.125  1.0
  Nd  Nd7  1  0.751  0.875  0.749  1.0
  Nd  Nd8  1  0.436  0.539  0.461  1.0
  Nd  Nd9  1  0.436  0.921  0.461  1.0
  Nd  Nd10  1  0.436  0.539  0.079  1.0
  Nd  Nd11  1  0.936  0.461  0.539  1.0
  Nd  Nd12  1  0.936  0.079  0.539  1.0
  Nd  Nd13  1  0.936  0.461  0.921  1.0
  Ni  Ni14  1  0.190  0.812  0.188  1.0
  Ni  Ni15  1  0.190  0.376  0.188  1.0
  Ni  Ni16  1  0.190  0.812  0.624  1.0
  Ni  Ni17  1  0.690  0.188  0.812  1.0
  Ni  Ni18  1  0.690  0.624  0.812  1.0
  Ni  Ni19  1  0.690  0.188  0.376  1.0
[/CIF]
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The material structure described by Nd7Ni3 crystallizes in the hexagonal P6_3mc space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 3-coordinate geometry to three equivalent Ni(1) atoms. In the second Nd site, Nd(3) is bonded in a distorted water-like geometry to two equivalent Ni(1) atoms. In the third Nd site, Nd(2) is bonded in a 3-coordinate geometry to three equivalent Ni(1) atoms. Ni(1) is bonded in a 6-coordinate geometry to one Nd(1), two equivalent Nd(3), and three equivalent Nd(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd7Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.358
_cell_length_b   9.929
_cell_length_c   9.929
_cell_angle_alpha   120.003
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   542.817
_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  0.464  0.333  0.667  1.0
  Nd  Nd1  1  0.964  0.667  0.333  1.0
  Nd  Nd2  1  0.251  0.125  0.875  1.0
  Nd  Nd3  1  0.251  0.749  0.875  1.0
  Nd  Nd4  1  0.251  0.125  0.251  1.0
  Nd  Nd5  1  0.751  0.875  0.125  1.0
  Nd  Nd6  1  0.751  0.251  0.125  1.0
  Nd  Nd7  1  0.751  0.875  0.749  1.0
  Nd  Nd8  1  0.436  0.539  0.461  1.0
  Nd  Nd9  1  0.436  0.921  0.461  1.0
  Nd  Nd10  1  0.436  0.539  0.079  1.0
  Nd  Nd11  1  0.936  0.461  0.539  1.0
  Nd  Nd12  1  0.936  0.079  0.539  1.0
  Nd  Nd13  1  0.936  0.461  0.921  1.0
  Ni  Ni14  1  0.190  0.812  0.188  1.0
  Ni  Ni15  1  0.190  0.376  0.188  1.0
  Ni  Ni16  1  0.190  0.812  0.624  1.0
  Ni  Ni17  1  0.690  0.188  0.812  1.0
  Ni  Ni18  1  0.690  0.624  0.812  1.0
  Ni  Ni19  1  0.690  0.188  0.376  1.0
[/CIF]
.