The material described by Nd2Zn5Sn crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 15-coordinate geometry to one Zn(3), six equivalent Zn(1), six equivalent Zn(2), and two equivalent Sn(1) atoms. In the second Nd site, Nd(2) is bonded in a 14-coordinate geometry to two equivalent Zn(1), four equivalent Zn(2), four equivalent Zn(3), and four equivalent Sn(1) atoms. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 10-coordinate geometry to one Nd(2), three equivalent Nd(1), one Zn(1), two equivalent Zn(3), and three equivalent Zn(2) atoms. In the second Zn site, Zn(2) is bonded in a 10-coordinate geometry to two equivalent Nd(2), three equivalent Nd(1), one Zn(3), three equivalent Zn(1), and one Sn(1) atom. In the third Zn site, Zn(3) is bonded in a 1-coordinate geometry to one Nd(1), four equivalent Nd(2), two equivalent Zn(2), four equivalent Zn(1), and one Sn(1) atom. Sn(1) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one Zn(3), and two equivalent Zn(2) atoms. is represented by the CIF file [CIF]
data_Nd2Zn5Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.545
_cell_length_b   8.545
_cell_length_c   9.030
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   149.961
_symmetry_Int_Tables_number   1
_cell_volume   330.076
_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  0.205  0.795  0.250  1.0
  Nd  Nd1  1  0.795  0.205  0.750  1.0
  Nd  Nd2  1  0.000  0.000  0.500  1.0
  Nd  Nd3  1  0.000  0.000  0.000  1.0
  Zn  Zn4  1  0.814  0.186  0.391  1.0
  Zn  Zn5  1  0.186  0.814  0.609  1.0
  Zn  Zn6  1  0.814  0.186  0.109  1.0
  Zn  Zn7  1  0.186  0.814  0.891  1.0
  Zn  Zn8  1  0.656  0.344  0.484  1.0
  Zn  Zn9  1  0.344  0.656  0.516  1.0
  Zn  Zn10  1  0.656  0.344  0.016  1.0
  Zn  Zn11  1  0.344  0.656  0.984  1.0
  Zn  Zn12  1  0.394  0.606  0.250  1.0
  Zn  Zn13  1  0.606  0.394  0.750  1.0
  Sn  Sn14  1  0.555  0.445  0.250  1.0
  Sn  Sn15  1  0.445  0.555  0.750  1.0
[/CIF]
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The material described by Nd2Zn5Sn crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 15-coordinate geometry to one Zn(3), six equivalent Zn(1), six equivalent Zn(2), and two equivalent Sn(1) atoms. In the second Nd site, Nd(2) is bonded in a 14-coordinate geometry to two equivalent Zn(1), four equivalent Zn(2), four equivalent Zn(3), and four equivalent Sn(1) atoms. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 10-coordinate geometry to one Nd(2), three equivalent Nd(1), one Zn(1), two equivalent Zn(3), and three equivalent Zn(2) atoms. In the second Zn site, Zn(2) is bonded in a 10-coordinate geometry to two equivalent Nd(2), three equivalent Nd(1), one Zn(3), three equivalent Zn(1), and one Sn(1) atom. In the third Zn site, Zn(3) is bonded in a 1-coordinate geometry to one Nd(1), four equivalent Nd(2), two equivalent Zn(2), four equivalent Zn(1), and one Sn(1) atom. Sn(1) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one Zn(3), and two equivalent Zn(2) atoms. is represented by the CIF file [CIF]
data_Nd2Zn5Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.545
_cell_length_b   8.545
_cell_length_c   9.030
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   149.961
_symmetry_Int_Tables_number   1
_cell_volume   330.076
_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  0.205  0.795  0.250  1.0
  Nd  Nd1  1  0.795  0.205  0.750  1.0
  Nd  Nd2  1  0.000  0.000  0.500  1.0
  Nd  Nd3  1  0.000  0.000  0.000  1.0
  Zn  Zn4  1  0.814  0.186  0.391  1.0
  Zn  Zn5  1  0.186  0.814  0.609  1.0
  Zn  Zn6  1  0.814  0.186  0.109  1.0
  Zn  Zn7  1  0.186  0.814  0.891  1.0
  Zn  Zn8  1  0.656  0.344  0.484  1.0
  Zn  Zn9  1  0.344  0.656  0.516  1.0
  Zn  Zn10  1  0.656  0.344  0.016  1.0
  Zn  Zn11  1  0.344  0.656  0.984  1.0
  Zn  Zn12  1  0.394  0.606  0.250  1.0
  Zn  Zn13  1  0.606  0.394  0.750  1.0
  Sn  Sn14  1  0.555  0.445  0.250  1.0
  Sn  Sn15  1  0.445  0.555  0.750  1.0
[/CIF]
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