The crystal structure described by Er6Zn23 crystallizes in the cubic Fm-3m space group. Er(1) is bonded in a 12-coordinate geometry to four equivalent Zn(1), four equivalent Zn(3), and four equivalent Zn(4) atoms. There are four inequivalent Zn sites. In the first Zn site, Zn(4) is bonded in a 13-coordinate geometry to three equivalent Er(1), one Zn(2), three equivalent Zn(1), three equivalent Zn(3), and three equivalent Zn(4) atoms. In the second Zn site, Zn(1) is bonded in a 12-coordinate geometry to three equivalent Er(1), three equivalent Zn(1), three equivalent Zn(3), and three equivalent Zn(4) atoms. In the third Zn site, Zn(2) is bonded in a body-centered cubic geometry to eight equivalent Zn(4) atoms. In the fourth Zn site, Zn(3) is bonded to four equivalent Er(1), four equivalent Zn(1), and four equivalent Zn(4) atoms to form a mixture of face and corner-sharing ZnEr4Zn8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er6Zn23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.823
_cell_length_b   8.823
_cell_length_c   8.823
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   485.743
_cell_formula_units_Z   1
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  0.206  0.794  0.794  1.0
  Er  Er1  1  0.206  0.794  0.206  1.0
  Er  Er2  1  0.794  0.206  0.794  1.0
  Er  Er3  1  0.206  0.206  0.794  1.0
  Er  Er4  1  0.794  0.794  0.206  1.0
  Er  Er5  1  0.794  0.206  0.206  1.0
  Zn  Zn6  1  0.828  0.828  0.828  1.0
  Zn  Zn7  1  0.172  0.172  0.485  1.0
  Zn  Zn8  1  0.172  0.485  0.172  1.0
  Zn  Zn9  1  0.485  0.172  0.172  1.0
  Zn  Zn10  1  0.828  0.515  0.828  1.0
  Zn  Zn11  1  0.515  0.828  0.828  1.0
  Zn  Zn12  1  0.500  0.500  0.500  1.0
  Zn  Zn13  1  0.500  0.000  0.000  1.0
  Zn  Zn14  1  0.000  0.000  0.500  1.0
  Zn  Zn15  1  0.500  0.500  0.000  1.0
  Zn  Zn16  1  0.000  0.500  0.500  1.0
  Zn  Zn17  1  0.000  0.500  0.000  1.0
  Zn  Zn18  1  0.500  0.000  0.500  1.0
  Zn  Zn19  1  0.377  0.377  0.377  1.0
  Zn  Zn20  1  0.623  0.623  0.131  1.0
  Zn  Zn21  1  0.131  0.623  0.623  1.0
  Zn  Zn22  1  0.623  0.131  0.623  1.0
  Zn  Zn23  1  0.869  0.377  0.377  1.0
  Zn  Zn24  1  0.377  0.869  0.377  1.0
  Zn  Zn25  1  0.377  0.377  0.869  1.0
  Zn  Zn26  1  0.623  0.623  0.623  1.0
  Zn  Zn27  1  0.172  0.172  0.172  1.0
  Zn  Zn28  1  0.828  0.828  0.515  1.0
[/CIF]
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The crystal structure described by Er6Zn23 crystallizes in the cubic Fm-3m space group. Er(1) is bonded in a 12-coordinate geometry to four equivalent Zn(1), four equivalent Zn(3), and four equivalent Zn(4) atoms. There are four inequivalent Zn sites. In the first Zn site, Zn(4) is bonded in a 13-coordinate geometry to three equivalent Er(1), one Zn(2), three equivalent Zn(1), three equivalent Zn(3), and three equivalent Zn(4) atoms. In the second Zn site, Zn(1) is bonded in a 12-coordinate geometry to three equivalent Er(1), three equivalent Zn(1), three equivalent Zn(3), and three equivalent Zn(4) atoms. In the third Zn site, Zn(2) is bonded in a body-centered cubic geometry to eight equivalent Zn(4) atoms. In the fourth Zn site, Zn(3) is bonded to four equivalent Er(1), four equivalent Zn(1), and four equivalent Zn(4) atoms to form a mixture of face and corner-sharing ZnEr4Zn8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er6Zn23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.823
_cell_length_b   8.823
_cell_length_c   8.823
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   485.743
_cell_formula_units_Z   1
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  0.206  0.794  0.794  1.0
  Er  Er1  1  0.206  0.794  0.206  1.0
  Er  Er2  1  0.794  0.206  0.794  1.0
  Er  Er3  1  0.206  0.206  0.794  1.0
  Er  Er4  1  0.794  0.794  0.206  1.0
  Er  Er5  1  0.794  0.206  0.206  1.0
  Zn  Zn6  1  0.828  0.828  0.828  1.0
  Zn  Zn7  1  0.172  0.172  0.485  1.0
  Zn  Zn8  1  0.172  0.485  0.172  1.0
  Zn  Zn9  1  0.485  0.172  0.172  1.0
  Zn  Zn10  1  0.828  0.515  0.828  1.0
  Zn  Zn11  1  0.515  0.828  0.828  1.0
  Zn  Zn12  1  0.500  0.500  0.500  1.0
  Zn  Zn13  1  0.500  0.000  0.000  1.0
  Zn  Zn14  1  0.000  0.000  0.500  1.0
  Zn  Zn15  1  0.500  0.500  0.000  1.0
  Zn  Zn16  1  0.000  0.500  0.500  1.0
  Zn  Zn17  1  0.000  0.500  0.000  1.0
  Zn  Zn18  1  0.500  0.000  0.500  1.0
  Zn  Zn19  1  0.377  0.377  0.377  1.0
  Zn  Zn20  1  0.623  0.623  0.131  1.0
  Zn  Zn21  1  0.131  0.623  0.623  1.0
  Zn  Zn22  1  0.623  0.131  0.623  1.0
  Zn  Zn23  1  0.869  0.377  0.377  1.0
  Zn  Zn24  1  0.377  0.869  0.377  1.0
  Zn  Zn25  1  0.377  0.377  0.869  1.0
  Zn  Zn26  1  0.623  0.623  0.623  1.0
  Zn  Zn27  1  0.172  0.172  0.172  1.0
  Zn  Zn28  1  0.828  0.828  0.515  1.0
[/CIF]
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