The structure described by Nd3NiSn7 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 10-coordinate geometry to two equivalent Sn(1), two equivalent Sn(4), two equivalent Sn(5), and four equivalent Sn(2) atoms. In the second Nd site, Nd(2) is bonded in a 14-coordinate geometry to four equivalent Ni(1), two equivalent Sn(2), two equivalent Sn(3), two equivalent Sn(6), and four equivalent Sn(1) atoms. In the third Nd site, Nd(3) is bonded in a 13-coordinate geometry to one Ni(1), two equivalent Sn(3), two equivalent Sn(4), two equivalent Sn(5), two equivalent Sn(6), and four equivalent Sn(7) atoms. Ni(1) is bonded in a 5-coordinate geometry to one Nd(3), four equivalent Nd(2), one Sn(1), two equivalent Sn(3), and two equivalent Sn(6) atoms. There are seven inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one Ni(1), and two equivalent Sn(2) atoms. In the second Sn site, Sn(2) is bonded in a 8-coordinate geometry to two equivalent Nd(2), four equivalent Nd(1), and two equivalent Sn(1) atoms. In the third Sn site, Sn(3) is bonded in a 6-coordinate geometry to two equivalent Nd(2), two equivalent Nd(3), and two equivalent Ni(1) atoms. In the fourth Sn site, Sn(4) is bonded in a 10-coordinate geometry to two equivalent Nd(1), two equivalent Nd(3), two equivalent Sn(7), and four 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(3), two equivalent Sn(7), and four equivalent Sn(4) atoms. In the sixth Sn site, Sn(6) is bonded in a 6-coordinate geometry to two equivalent Nd(2), two equivalent Nd(3), and two equivalent Ni(1) atoms. In the seventh Sn site, Sn(7) is bonded in a rectangular see-saw-like geometry to four equivalent Nd(3), two equivalent Sn(4), and two equivalent Sn(5) atoms. is represented by the CIF file [CIF]
data_Nd3NiSn7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.904
_cell_length_b   13.904
_cell_length_c   4.552
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   161.253
_symmetry_Int_Tables_number   1
_cell_volume   282.802
_cell_formula_units_Z   1
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  0.185  0.815  0.000  1.0
  Nd  Nd1  1  0.814  0.186  0.000  1.0
  Nd  Nd2  1  0.499  0.501  0.500  1.0
  Ni  Ni3  1  0.371  0.629  0.500  1.0
  Sn  Sn4  1  0.280  0.720  0.500  1.0
  Sn  Sn5  1  0.712  0.288  0.500  1.0
  Sn  Sn6  1  0.409  0.591  0.000  1.0
  Sn  Sn7  1  0.595  0.405  0.000  1.0
  Sn  Sn8  1  0.095  0.905  0.500  1.0
  Sn  Sn9  1  0.909  0.091  0.500  1.0
  Sn  Sn10  1  0.002  0.998  0.000  1.0
[/CIF]
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The structure described by Nd3NiSn7 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 10-coordinate geometry to two equivalent Sn(1), two equivalent Sn(4), two equivalent Sn(5), and four equivalent Sn(2) atoms. In the second Nd site, Nd(2) is bonded in a 14-coordinate geometry to four equivalent Ni(1), two equivalent Sn(2), two equivalent Sn(3), two equivalent Sn(6), and four equivalent Sn(1) atoms. In the third Nd site, Nd(3) is bonded in a 13-coordinate geometry to one Ni(1), two equivalent Sn(3), two equivalent Sn(4), two equivalent Sn(5), two equivalent Sn(6), and four equivalent Sn(7) atoms. Ni(1) is bonded in a 5-coordinate geometry to one Nd(3), four equivalent Nd(2), one Sn(1), two equivalent Sn(3), and two equivalent Sn(6) atoms. There are seven inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one Ni(1), and two equivalent Sn(2) atoms. In the second Sn site, Sn(2) is bonded in a 8-coordinate geometry to two equivalent Nd(2), four equivalent Nd(1), and two equivalent Sn(1) atoms. In the third Sn site, Sn(3) is bonded in a 6-coordinate geometry to two equivalent Nd(2), two equivalent Nd(3), and two equivalent Ni(1) atoms. In the fourth Sn site, Sn(4) is bonded in a 10-coordinate geometry to two equivalent Nd(1), two equivalent Nd(3), two equivalent Sn(7), and four 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(3), two equivalent Sn(7), and four equivalent Sn(4) atoms. In the sixth Sn site, Sn(6) is bonded in a 6-coordinate geometry to two equivalent Nd(2), two equivalent Nd(3), and two equivalent Ni(1) atoms. In the seventh Sn site, Sn(7) is bonded in a rectangular see-saw-like geometry to four equivalent Nd(3), two equivalent Sn(4), and two equivalent Sn(5) atoms. is represented by the CIF file [CIF]
data_Nd3NiSn7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.904
_cell_length_b   13.904
_cell_length_c   4.552
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   161.253
_symmetry_Int_Tables_number   1
_cell_volume   282.802
_cell_formula_units_Z   1
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  0.185  0.815  0.000  1.0
  Nd  Nd1  1  0.814  0.186  0.000  1.0
  Nd  Nd2  1  0.499  0.501  0.500  1.0
  Ni  Ni3  1  0.371  0.629  0.500  1.0
  Sn  Sn4  1  0.280  0.720  0.500  1.0
  Sn  Sn5  1  0.712  0.288  0.500  1.0
  Sn  Sn6  1  0.409  0.591  0.000  1.0
  Sn  Sn7  1  0.595  0.405  0.000  1.0
  Sn  Sn8  1  0.095  0.905  0.500  1.0
  Sn  Sn9  1  0.909  0.091  0.500  1.0
  Sn  Sn10  1  0.002  0.998  0.000  1.0
[/CIF]
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