The crystal structure described by Nd2Sn5 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to two equivalent Sn(1), two equivalent Sn(3), two equivalent Sn(5), two equivalent Sn(6), and four equivalent Sn(4) atoms to form a mixture of corner and face-sharing NdSn12 cuboctahedra. In the second Nd site, Nd(2) is bonded in a 10-coordinate geometry to two equivalent Sn(1), two equivalent Sn(5), and six equivalent Sn(2) atoms. There are six inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Nd(1), two equivalent Nd(2), two equivalent Sn(4), and four equivalent Sn(5) atoms. In the second Sn site, Sn(2) is bonded in a 8-coordinate geometry to six equivalent Nd(2) and two equivalent Sn(2) atoms. In the third Sn site, Sn(3) is bonded in a distorted square co-planar geometry to four equivalent Nd(1) atoms. In the fourth Sn site, Sn(4) is bonded in a distorted square co-planar geometry to four equivalent Nd(1), two equivalent Sn(1), and two equivalent Sn(5) atoms. In the fifth Sn site, Sn(5) is bonded in a 10-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), two equivalent Sn(4), and four equivalent Sn(1) atoms. In the sixth Sn site, Sn(6) is bonded in a 4-coordinate geometry to four equivalent Nd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.602
_cell_length_b   4.671
_cell_length_c   17.984
_cell_angle_alpha   90.000
_cell_angle_beta   97.350
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   383.369
_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  0.931  0.500  0.863  1.0
  Nd  Nd1  1  0.069  0.500  0.137  1.0
  Nd  Nd2  1  0.798  0.500  0.595  1.0
  Nd  Nd3  1  0.202  0.500  0.405  1.0
  Sn  Sn4  1  0.637  0.500  0.274  1.0
  Sn  Sn5  1  0.363  0.500  0.726  1.0
  Sn  Sn6  1  0.722  0.000  0.444  1.0
  Sn  Sn7  1  0.278  0.000  0.556  1.0
  Sn  Sn8  1  0.500  0.500  0.000  1.0
  Sn  Sn9  1  0.572  0.000  0.144  1.0
  Sn  Sn10  1  0.428  0.000  0.856  1.0
  Sn  Sn11  1  0.862  0.000  0.725  1.0
  Sn  Sn12  1  0.138  0.000  0.275  1.0
  Sn  Sn13  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Nd2Sn5 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to two equivalent Sn(1), two equivalent Sn(3), two equivalent Sn(5), two equivalent Sn(6), and four equivalent Sn(4) atoms to form a mixture of corner and face-sharing NdSn12 cuboctahedra. In the second Nd site, Nd(2) is bonded in a 10-coordinate geometry to two equivalent Sn(1), two equivalent Sn(5), and six equivalent Sn(2) atoms. There are six inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Nd(1), two equivalent Nd(2), two equivalent Sn(4), and four equivalent Sn(5) atoms. In the second Sn site, Sn(2) is bonded in a 8-coordinate geometry to six equivalent Nd(2) and two equivalent Sn(2) atoms. In the third Sn site, Sn(3) is bonded in a distorted square co-planar geometry to four equivalent Nd(1) atoms. In the fourth Sn site, Sn(4) is bonded in a distorted square co-planar geometry to four equivalent Nd(1), two equivalent Sn(1), and two equivalent Sn(5) atoms. In the fifth Sn site, Sn(5) is bonded in a 10-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), two equivalent Sn(4), and four equivalent Sn(1) atoms. In the sixth Sn site, Sn(6) is bonded in a 4-coordinate geometry to four equivalent Nd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.602
_cell_length_b   4.671
_cell_length_c   17.984
_cell_angle_alpha   90.000
_cell_angle_beta   97.350
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   383.369
_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  0.931  0.500  0.863  1.0
  Nd  Nd1  1  0.069  0.500  0.137  1.0
  Nd  Nd2  1  0.798  0.500  0.595  1.0
  Nd  Nd3  1  0.202  0.500  0.405  1.0
  Sn  Sn4  1  0.637  0.500  0.274  1.0
  Sn  Sn5  1  0.363  0.500  0.726  1.0
  Sn  Sn6  1  0.722  0.000  0.444  1.0
  Sn  Sn7  1  0.278  0.000  0.556  1.0
  Sn  Sn8  1  0.500  0.500  0.000  1.0
  Sn  Sn9  1  0.572  0.000  0.144  1.0
  Sn  Sn10  1  0.428  0.000  0.856  1.0
  Sn  Sn11  1  0.862  0.000  0.725  1.0
  Sn  Sn12  1  0.138  0.000  0.275  1.0
  Sn  Sn13  1  0.000  0.000  0.000  1.0
[/CIF]
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