The material described by Nd6Ni2Sn crystallizes in the orthorhombic Immm space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 4-coordinate geometry to one Ni(1), one Ni(2), one Sn(1), and one Sn(2) atom. In the second Nd site, Nd(2) is bonded in a 4-coordinate geometry to one Ni(1), two equivalent Ni(2), one Sn(1), and one Sn(2) atom. In the third Nd site, Nd(3) is bonded in a 4-coordinate geometry to one Ni(2), two equivalent Ni(1), and one Sn(1) atom. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), four equivalent Nd(3), and one Ni(1) atom. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to two equivalent Nd(1), two equivalent Nd(3), four equivalent Nd(2), and one Ni(2) atom. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a cuboctahedral geometry to four equivalent Nd(1), four equivalent Nd(2), and four equivalent Nd(3) atoms. In the second Sn site, Sn(2) is bonded in a body-centered cubic geometry to four equivalent Nd(1) and four equivalent Nd(2) atoms. is represented by the CIF card [CIF]
data_Nd6Ni2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.753
_cell_length_b   8.753
_cell_length_c   8.753
_cell_angle_alpha   113.428
_cell_angle_beta   108.519
_cell_angle_gamma   106.546
_symmetry_Int_Tables_number   1
_cell_volume   514.271
_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  0.436  0.233  0.203  1.0
  Nd  Nd1  1  0.564  0.767  0.797  1.0
  Nd  Nd2  1  0.030  0.233  0.797  1.0
  Nd  Nd3  1  0.970  0.767  0.203  1.0
  Nd  Nd4  1  0.184  0.288  0.472  1.0
  Nd  Nd5  1  0.816  0.712  0.528  1.0
  Nd  Nd6  1  0.184  0.712  0.896  1.0
  Nd  Nd7  1  0.816  0.288  0.104  1.0
  Nd  Nd8  1  0.322  0.629  0.308  1.0
  Nd  Nd9  1  0.678  0.371  0.692  1.0
  Nd  Nd10  1  0.322  0.014  0.692  1.0
  Nd  Nd11  1  0.678  0.986  0.308  1.0
  Ni  Ni12  1  0.365  0.000  0.365  1.0
  Ni  Ni13  1  0.635  0.000  0.635  1.0
  Ni  Ni14  1  0.116  0.616  0.500  1.0
  Ni  Ni15  1  0.884  0.384  0.500  1.0
  Sn  Sn16  1  0.500  0.500  0.000  1.0
  Sn  Sn17  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Nd6Ni2Sn crystallizes in the orthorhombic Immm space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 4-coordinate geometry to one Ni(1), one Ni(2), one Sn(1), and one Sn(2) atom. In the second Nd site, Nd(2) is bonded in a 4-coordinate geometry to one Ni(1), two equivalent Ni(2), one Sn(1), and one Sn(2) atom. In the third Nd site, Nd(3) is bonded in a 4-coordinate geometry to one Ni(2), two equivalent Ni(1), and one Sn(1) atom. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), four equivalent Nd(3), and one Ni(1) atom. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to two equivalent Nd(1), two equivalent Nd(3), four equivalent Nd(2), and one Ni(2) atom. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a cuboctahedral geometry to four equivalent Nd(1), four equivalent Nd(2), and four equivalent Nd(3) atoms. In the second Sn site, Sn(2) is bonded in a body-centered cubic geometry to four equivalent Nd(1) and four equivalent Nd(2) atoms. is represented by the CIF card [CIF]
data_Nd6Ni2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.753
_cell_length_b   8.753
_cell_length_c   8.753
_cell_angle_alpha   113.428
_cell_angle_beta   108.519
_cell_angle_gamma   106.546
_symmetry_Int_Tables_number   1
_cell_volume   514.271
_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  0.436  0.233  0.203  1.0
  Nd  Nd1  1  0.564  0.767  0.797  1.0
  Nd  Nd2  1  0.030  0.233  0.797  1.0
  Nd  Nd3  1  0.970  0.767  0.203  1.0
  Nd  Nd4  1  0.184  0.288  0.472  1.0
  Nd  Nd5  1  0.816  0.712  0.528  1.0
  Nd  Nd6  1  0.184  0.712  0.896  1.0
  Nd  Nd7  1  0.816  0.288  0.104  1.0
  Nd  Nd8  1  0.322  0.629  0.308  1.0
  Nd  Nd9  1  0.678  0.371  0.692  1.0
  Nd  Nd10  1  0.322  0.014  0.692  1.0
  Nd  Nd11  1  0.678  0.986  0.308  1.0
  Ni  Ni12  1  0.365  0.000  0.365  1.0
  Ni  Ni13  1  0.635  0.000  0.635  1.0
  Ni  Ni14  1  0.116  0.616  0.500  1.0
  Ni  Ni15  1  0.884  0.384  0.500  1.0
  Sn  Sn16  1  0.500  0.500  0.000  1.0
  Sn  Sn17  1  0.000  0.000  0.000  1.0
[/CIF]
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