The crystal structure described by TbZnSn crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 12-coordinate geometry to six equivalent Zn(1) and six equivalent Sn(1) atoms. In the second Tb site, Tb(2) is bonded to six equivalent Sn(1) atoms to form edge-sharing TbSn6 octahedra. Zn(1) is bonded in a 6-coordinate geometry to three equivalent Tb(1) and three equivalent Sn(1) atoms. Sn(1) is bonded in a 9-coordinate geometry to three equivalent Tb(1), three equivalent Tb(2), and three equivalent Zn(1) atoms. is represented by the CIF file [CIF]
data_TbZnSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.461
_cell_length_b   4.461
_cell_length_c   16.129
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   277.956
_cell_formula_units_Z   4
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  0.750  1.0
  Tb  Tb1  1  0.000  0.000  0.250  1.0
  Tb  Tb2  1  0.000  0.000  0.500  1.0
  Tb  Tb3  1  0.000  0.000  0.000  1.0
  Zn  Zn4  1  0.667  0.333  0.839  1.0
  Zn  Zn5  1  0.667  0.333  0.661  1.0
  Zn  Zn6  1  0.333  0.667  0.161  1.0
  Zn  Zn7  1  0.333  0.667  0.339  1.0
  Sn  Sn8  1  0.667  0.333  0.114  1.0
  Sn  Sn9  1  0.667  0.333  0.386  1.0
  Sn  Sn10  1  0.333  0.667  0.886  1.0
  Sn  Sn11  1  0.333  0.667  0.614  1.0
[/CIF]
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The crystal structure described by TbZnSn crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 12-coordinate geometry to six equivalent Zn(1) and six equivalent Sn(1) atoms. In the second Tb site, Tb(2) is bonded to six equivalent Sn(1) atoms to form edge-sharing TbSn6 octahedra. Zn(1) is bonded in a 6-coordinate geometry to three equivalent Tb(1) and three equivalent Sn(1) atoms. Sn(1) is bonded in a 9-coordinate geometry to three equivalent Tb(1), three equivalent Tb(2), and three equivalent Zn(1) atoms. is represented by the CIF file [CIF]
data_TbZnSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.461
_cell_length_b   4.461
_cell_length_c   16.129
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   277.956
_cell_formula_units_Z   4
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  0.750  1.0
  Tb  Tb1  1  0.000  0.000  0.250  1.0
  Tb  Tb2  1  0.000  0.000  0.500  1.0
  Tb  Tb3  1  0.000  0.000  0.000  1.0
  Zn  Zn4  1  0.667  0.333  0.839  1.0
  Zn  Zn5  1  0.667  0.333  0.661  1.0
  Zn  Zn6  1  0.333  0.667  0.161  1.0
  Zn  Zn7  1  0.333  0.667  0.339  1.0
  Sn  Sn8  1  0.667  0.333  0.114  1.0
  Sn  Sn9  1  0.667  0.333  0.386  1.0
  Sn  Sn10  1  0.333  0.667  0.886  1.0
  Sn  Sn11  1  0.333  0.667  0.614  1.0
[/CIF]
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