The compound described by Nd5Sn3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 6-coordinate geometry to six equivalent Sn(1) atoms. In the second Nd site, Nd(2) is bonded in a 5-coordinate geometry to five equivalent Sn(1) atoms. Sn(1) is bonded in a 9-coordinate geometry to four equivalent Nd(1) and five equivalent Nd(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd5Sn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.289
_cell_length_b   9.289
_cell_length_c   6.880
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   514.081
_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  0.333  0.667  0.000  1.0
  Nd  Nd1  1  0.667  0.333  0.500  1.0
  Nd  Nd2  1  0.667  0.333  0.000  1.0
  Nd  Nd3  1  0.333  0.667  0.500  1.0
  Nd  Nd4  1  0.241  0.000  0.250  1.0
  Nd  Nd5  1  0.241  0.241  0.750  1.0
  Nd  Nd6  1  0.000  0.759  0.750  1.0
  Nd  Nd7  1  0.000  0.241  0.250  1.0
  Nd  Nd8  1  0.759  0.759  0.250  1.0
  Nd  Nd9  1  0.759  0.000  0.750  1.0
  Sn  Sn10  1  0.606  0.000  0.250  1.0
  Sn  Sn11  1  0.606  0.606  0.750  1.0
  Sn  Sn12  1  0.000  0.394  0.750  1.0
  Sn  Sn13  1  0.000  0.606  0.250  1.0
  Sn  Sn14  1  0.394  0.394  0.250  1.0
  Sn  Sn15  1  0.394  0.000  0.750  1.0
[/CIF]
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The compound described by Nd5Sn3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 6-coordinate geometry to six equivalent Sn(1) atoms. In the second Nd site, Nd(2) is bonded in a 5-coordinate geometry to five equivalent Sn(1) atoms. Sn(1) is bonded in a 9-coordinate geometry to four equivalent Nd(1) and five equivalent Nd(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd5Sn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.289
_cell_length_b   9.289
_cell_length_c   6.880
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   514.081
_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  0.333  0.667  0.000  1.0
  Nd  Nd1  1  0.667  0.333  0.500  1.0
  Nd  Nd2  1  0.667  0.333  0.000  1.0
  Nd  Nd3  1  0.333  0.667  0.500  1.0
  Nd  Nd4  1  0.241  0.000  0.250  1.0
  Nd  Nd5  1  0.241  0.241  0.750  1.0
  Nd  Nd6  1  0.000  0.759  0.750  1.0
  Nd  Nd7  1  0.000  0.241  0.250  1.0
  Nd  Nd8  1  0.759  0.759  0.250  1.0
  Nd  Nd9  1  0.759  0.000  0.750  1.0
  Sn  Sn10  1  0.606  0.000  0.250  1.0
  Sn  Sn11  1  0.606  0.606  0.750  1.0
  Sn  Sn12  1  0.000  0.394  0.750  1.0
  Sn  Sn13  1  0.000  0.606  0.250  1.0
  Sn  Sn14  1  0.394  0.394  0.250  1.0
  Sn  Sn15  1  0.394  0.000  0.750  1.0
[/CIF]
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