The structure described by ErZnSn crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 12-coordinate geometry to six equivalent Zn(1) and six equivalent Sn(1) atoms. In the second Er site, Er(2) is bonded to six equivalent Sn(1) atoms to form edge-sharing ErSn6 octahedra. Zn(1) is bonded in a 6-coordinate geometry to three equivalent Er(1) and three equivalent Sn(1) atoms. Sn(1) is bonded in a 9-coordinate geometry to three equivalent Er(1), three equivalent Er(2), and three equivalent Zn(1) atoms. is represented by the CIF file [CIF]
data_ErZnSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.430
_cell_length_b   4.430
_cell_length_c   15.879
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   269.842
_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
  Er  Er0  1  0.000  0.000  0.250  1.0
  Er  Er1  1  0.000  0.000  0.750  1.0
  Er  Er2  1  0.000  0.000  0.000  1.0
  Er  Er3  1  0.000  0.000  0.500  1.0
  Zn  Zn4  1  0.333  0.667  0.163  1.0
  Zn  Zn5  1  0.667  0.333  0.837  1.0
  Zn  Zn6  1  0.667  0.333  0.663  1.0
  Zn  Zn7  1  0.333  0.667  0.337  1.0
  Sn  Sn8  1  0.333  0.667  0.613  1.0
  Sn  Sn9  1  0.667  0.333  0.387  1.0
  Sn  Sn10  1  0.667  0.333  0.113  1.0
  Sn  Sn11  1  0.333  0.667  0.887  1.0
[/CIF]
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The structure described by ErZnSn crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 12-coordinate geometry to six equivalent Zn(1) and six equivalent Sn(1) atoms. In the second Er site, Er(2) is bonded to six equivalent Sn(1) atoms to form edge-sharing ErSn6 octahedra. Zn(1) is bonded in a 6-coordinate geometry to three equivalent Er(1) and three equivalent Sn(1) atoms. Sn(1) is bonded in a 9-coordinate geometry to three equivalent Er(1), three equivalent Er(2), and three equivalent Zn(1) atoms. is represented by the CIF file [CIF]
data_ErZnSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.430
_cell_length_b   4.430
_cell_length_c   15.879
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   269.842
_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
  Er  Er0  1  0.000  0.000  0.250  1.0
  Er  Er1  1  0.000  0.000  0.750  1.0
  Er  Er2  1  0.000  0.000  0.000  1.0
  Er  Er3  1  0.000  0.000  0.500  1.0
  Zn  Zn4  1  0.333  0.667  0.163  1.0
  Zn  Zn5  1  0.667  0.333  0.837  1.0
  Zn  Zn6  1  0.667  0.333  0.663  1.0
  Zn  Zn7  1  0.333  0.667  0.337  1.0
  Sn  Sn8  1  0.333  0.667  0.613  1.0
  Sn  Sn9  1  0.667  0.333  0.387  1.0
  Sn  Sn10  1  0.667  0.333  0.113  1.0
  Sn  Sn11  1  0.333  0.667  0.887  1.0
[/CIF]
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