The compound described by TbNi3Sn2 crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a hexagonal planar geometry to six equivalent Ni(1) atoms. In the second Tb site, Tb(2) is bonded in a 18-coordinate geometry to six equivalent Ni(1), six equivalent Ni(2), and six equivalent Sn(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to one Tb(1), two equivalent Tb(2), two equivalent Ni(2), and four equivalent Sn(1) atoms. In the second Ni site, Ni(2) is bonded to four equivalent Tb(2), four equivalent Ni(1), and four equivalent Sn(1) atoms to form a mixture of corner and face-sharing NiTb4Ni4Sn4 cuboctahedra. Sn(1) is bonded in a 8-coordinate geometry to two equivalent Tb(2), two equivalent Ni(2), and four equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_TbNi3Sn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.077
_cell_length_b   9.518
_cell_length_c   9.518
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   319.802
_cell_formula_units_Z   3
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
  Tb  Tb0  1  0.000  0.000  0.000  1.0
  Tb  Tb1  1  0.500  0.667  0.333  1.0
  Tb  Tb2  1  0.500  0.333  0.667  1.0
  Ni  Ni3  1  0.000  0.817  0.183  1.0
  Ni  Ni4  1  0.000  0.183  0.817  1.0
  Ni  Ni5  1  0.000  0.367  0.183  1.0
  Ni  Ni6  1  0.000  0.633  0.817  1.0
  Ni  Ni7  1  0.000  0.817  0.633  1.0
  Ni  Ni8  1  0.000  0.183  0.367  1.0
  Ni  Ni9  1  0.000  0.500  0.500  1.0
  Ni  Ni10  1  0.000  0.000  0.500  1.0
  Ni  Ni11  1  0.000  0.500  0.000  1.0
  Sn  Sn12  1  0.500  0.679  0.679  1.0
  Sn  Sn13  1  0.500  0.321  0.321  1.0
  Sn  Sn14  1  0.500  0.000  0.321  1.0
  Sn  Sn15  1  0.500  0.000  0.679  1.0
  Sn  Sn16  1  0.500  0.321  0.000  1.0
  Sn  Sn17  1  0.500  0.679  0.000  1.0
[/CIF]
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The compound described by TbNi3Sn2 crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a hexagonal planar geometry to six equivalent Ni(1) atoms. In the second Tb site, Tb(2) is bonded in a 18-coordinate geometry to six equivalent Ni(1), six equivalent Ni(2), and six equivalent Sn(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to one Tb(1), two equivalent Tb(2), two equivalent Ni(2), and four equivalent Sn(1) atoms. In the second Ni site, Ni(2) is bonded to four equivalent Tb(2), four equivalent Ni(1), and four equivalent Sn(1) atoms to form a mixture of corner and face-sharing NiTb4Ni4Sn4 cuboctahedra. Sn(1) is bonded in a 8-coordinate geometry to two equivalent Tb(2), two equivalent Ni(2), and four equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_TbNi3Sn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.077
_cell_length_b   9.518
_cell_length_c   9.518
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   319.802
_cell_formula_units_Z   3
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
  Tb  Tb0  1  0.000  0.000  0.000  1.0
  Tb  Tb1  1  0.500  0.667  0.333  1.0
  Tb  Tb2  1  0.500  0.333  0.667  1.0
  Ni  Ni3  1  0.000  0.817  0.183  1.0
  Ni  Ni4  1  0.000  0.183  0.817  1.0
  Ni  Ni5  1  0.000  0.367  0.183  1.0
  Ni  Ni6  1  0.000  0.633  0.817  1.0
  Ni  Ni7  1  0.000  0.817  0.633  1.0
  Ni  Ni8  1  0.000  0.183  0.367  1.0
  Ni  Ni9  1  0.000  0.500  0.500  1.0
  Ni  Ni10  1  0.000  0.000  0.500  1.0
  Ni  Ni11  1  0.000  0.500  0.000  1.0
  Sn  Sn12  1  0.500  0.679  0.679  1.0
  Sn  Sn13  1  0.500  0.321  0.321  1.0
  Sn  Sn14  1  0.500  0.000  0.321  1.0
  Sn  Sn15  1  0.500  0.000  0.679  1.0
  Sn  Sn16  1  0.500  0.321  0.000  1.0
  Sn  Sn17  1  0.500  0.679  0.000  1.0
[/CIF]
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