The structure described by ErZn3 crystallizes in the orthorhombic Pnma space group. Er(1) is bonded in a 14-coordinate geometry to four equivalent Zn(3), five equivalent Zn(1), and five equivalent Zn(2) atoms. There are three inequivalent Zn sites. In the first Zn site, Zn(2) is bonded in a 10-coordinate geometry to five equivalent Er(1), two equivalent Zn(1), and three equivalent Zn(3) atoms. In the second Zn site, Zn(1) is bonded to five equivalent Er(1), two equivalent Zn(1), two equivalent Zn(2), and three equivalent Zn(3) atoms to form a mixture of distorted corner and face-sharing ZnEr5Zn7 cuboctahedra. In the third Zn site, Zn(3) is bonded in a 10-coordinate geometry to four equivalent Er(1), three equivalent Zn(1), and three equivalent Zn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ErZn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.286
_cell_length_b   6.597
_cell_length_c   9.930
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   280.812
_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  0.750  0.220  0.838  1.0
  Er  Er1  1  0.750  0.720  0.662  1.0
  Er  Er2  1  0.250  0.780  0.162  1.0
  Er  Er3  1  0.250  0.280  0.338  1.0
  Zn  Zn4  1  0.750  0.963  0.397  1.0
  Zn  Zn5  1  0.750  0.463  0.103  1.0
  Zn  Zn6  1  0.250  0.037  0.603  1.0
  Zn  Zn7  1  0.250  0.537  0.897  1.0
  Zn  Zn8  1  0.750  0.581  0.353  1.0
  Zn  Zn9  1  0.750  0.081  0.147  1.0
  Zn  Zn10  1  0.250  0.419  0.647  1.0
  Zn  Zn11  1  0.250  0.919  0.853  1.0
  Zn  Zn12  1  0.750  0.281  0.544  1.0
  Zn  Zn13  1  0.750  0.781  0.956  1.0
  Zn  Zn14  1  0.250  0.719  0.456  1.0
  Zn  Zn15  1  0.250  0.219  0.044  1.0
[/CIF]
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The structure described by ErZn3 crystallizes in the orthorhombic Pnma space group. Er(1) is bonded in a 14-coordinate geometry to four equivalent Zn(3), five equivalent Zn(1), and five equivalent Zn(2) atoms. There are three inequivalent Zn sites. In the first Zn site, Zn(2) is bonded in a 10-coordinate geometry to five equivalent Er(1), two equivalent Zn(1), and three equivalent Zn(3) atoms. In the second Zn site, Zn(1) is bonded to five equivalent Er(1), two equivalent Zn(1), two equivalent Zn(2), and three equivalent Zn(3) atoms to form a mixture of distorted corner and face-sharing ZnEr5Zn7 cuboctahedra. In the third Zn site, Zn(3) is bonded in a 10-coordinate geometry to four equivalent Er(1), three equivalent Zn(1), and three equivalent Zn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ErZn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.286
_cell_length_b   6.597
_cell_length_c   9.930
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   280.812
_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  0.750  0.220  0.838  1.0
  Er  Er1  1  0.750  0.720  0.662  1.0
  Er  Er2  1  0.250  0.780  0.162  1.0
  Er  Er3  1  0.250  0.280  0.338  1.0
  Zn  Zn4  1  0.750  0.963  0.397  1.0
  Zn  Zn5  1  0.750  0.463  0.103  1.0
  Zn  Zn6  1  0.250  0.037  0.603  1.0
  Zn  Zn7  1  0.250  0.537  0.897  1.0
  Zn  Zn8  1  0.750  0.581  0.353  1.0
  Zn  Zn9  1  0.750  0.081  0.147  1.0
  Zn  Zn10  1  0.250  0.419  0.647  1.0
  Zn  Zn11  1  0.250  0.919  0.853  1.0
  Zn  Zn12  1  0.750  0.281  0.544  1.0
  Zn  Zn13  1  0.750  0.781  0.956  1.0
  Zn  Zn14  1  0.250  0.719  0.456  1.0
  Zn  Zn15  1  0.250  0.219  0.044  1.0
[/CIF]
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