The material described by Fe4Zn9 crystallizes in the cubic I-43m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(2) is bonded to three equivalent Fe(1), three equivalent Zn(2), and six equivalent Zn(1) atoms to form a mixture of distorted face and corner-sharing FeZn9Fe3 cuboctahedra. In the second Fe site, Fe(1) is bonded in a 12-coordinate geometry to three equivalent Fe(1), three equivalent Fe(2), three equivalent Zn(1), and three equivalent Zn(2) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 11-coordinate geometry to one Fe(1), two equivalent Fe(2), four equivalent Zn(1), and four equivalent Zn(2) atoms. In the second Zn site, Zn(2) is bonded in a 13-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), one Zn(2), and eight equivalent Zn(1) atoms. is represented by the CIF card [CIF]
data_Zn9Fe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.695
_cell_length_b   7.695
_cell_length_c   7.695
_cell_angle_alpha   109.469
_cell_angle_beta   109.469
_cell_angle_gamma   109.469
_symmetry_Int_Tables_number   1
_cell_volume   350.795
_cell_formula_units_Z   2
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
  Zn  Zn0  1  0.390  0.642  0.642  1.0
  Zn  Zn1  1  0.610  0.252  0.252  1.0
  Zn  Zn2  1  1.000  0.358  0.748  1.0
  Zn  Zn3  1  0.642  0.642  0.390  1.0
  Zn  Zn4  1  0.000  0.748  0.358  1.0
  Zn  Zn5  1  0.252  0.252  0.610  1.0
  Zn  Zn6  1  0.358  0.748  1.000  1.0
  Zn  Zn7  1  0.748  0.358  1.000  1.0
  Zn  Zn8  1  0.642  0.390  0.642  1.0
  Zn  Zn9  1  0.748  1.000  0.358  1.0
  Zn  Zn10  1  0.358  1.000  0.748  1.0
  Zn  Zn11  1  0.252  0.610  0.252  1.0
  Zn  Zn12  1  0.643  0.643  0.000  1.0
  Zn  Zn13  1  0.357  0.357  0.000  1.0
  Zn  Zn14  1  0.643  1.000  0.643  1.0
  Zn  Zn15  1  0.357  0.000  0.357  1.0
  Zn  Zn16  1  0.000  0.643  0.643  1.0
  Zn  Zn17  1  0.000  0.357  0.357  1.0
  Fe  Fe18  1  0.791  0.791  0.791  1.0
  Fe  Fe19  1  0.209  0.000  0.000  1.0
  Fe  Fe20  1  0.000  0.209  0.000  1.0
  Fe  Fe21  1  0.000  0.000  0.209  1.0
  Fe  Fe22  1  0.321  0.321  0.321  1.0
  Fe  Fe23  1  0.679  1.000  0.000  1.0
  Fe  Fe24  1  0.000  0.679  0.000  1.0
  Fe  Fe25  1  0.000  1.000  0.679  1.0
[/CIF]
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The material described by Fe4Zn9 crystallizes in the cubic I-43m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(2) is bonded to three equivalent Fe(1), three equivalent Zn(2), and six equivalent Zn(1) atoms to form a mixture of distorted face and corner-sharing FeZn9Fe3 cuboctahedra. In the second Fe site, Fe(1) is bonded in a 12-coordinate geometry to three equivalent Fe(1), three equivalent Fe(2), three equivalent Zn(1), and three equivalent Zn(2) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 11-coordinate geometry to one Fe(1), two equivalent Fe(2), four equivalent Zn(1), and four equivalent Zn(2) atoms. In the second Zn site, Zn(2) is bonded in a 13-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), one Zn(2), and eight equivalent Zn(1) atoms. is represented by the CIF card [CIF]
data_Zn9Fe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.695
_cell_length_b   7.695
_cell_length_c   7.695
_cell_angle_alpha   109.469
_cell_angle_beta   109.469
_cell_angle_gamma   109.469
_symmetry_Int_Tables_number   1
_cell_volume   350.795
_cell_formula_units_Z   2
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
  Zn  Zn0  1  0.390  0.642  0.642  1.0
  Zn  Zn1  1  0.610  0.252  0.252  1.0
  Zn  Zn2  1  1.000  0.358  0.748  1.0
  Zn  Zn3  1  0.642  0.642  0.390  1.0
  Zn  Zn4  1  0.000  0.748  0.358  1.0
  Zn  Zn5  1  0.252  0.252  0.610  1.0
  Zn  Zn6  1  0.358  0.748  1.000  1.0
  Zn  Zn7  1  0.748  0.358  1.000  1.0
  Zn  Zn8  1  0.642  0.390  0.642  1.0
  Zn  Zn9  1  0.748  1.000  0.358  1.0
  Zn  Zn10  1  0.358  1.000  0.748  1.0
  Zn  Zn11  1  0.252  0.610  0.252  1.0
  Zn  Zn12  1  0.643  0.643  0.000  1.0
  Zn  Zn13  1  0.357  0.357  0.000  1.0
  Zn  Zn14  1  0.643  1.000  0.643  1.0
  Zn  Zn15  1  0.357  0.000  0.357  1.0
  Zn  Zn16  1  0.000  0.643  0.643  1.0
  Zn  Zn17  1  0.000  0.357  0.357  1.0
  Fe  Fe18  1  0.791  0.791  0.791  1.0
  Fe  Fe19  1  0.209  0.000  0.000  1.0
  Fe  Fe20  1  0.000  0.209  0.000  1.0
  Fe  Fe21  1  0.000  0.000  0.209  1.0
  Fe  Fe22  1  0.321  0.321  0.321  1.0
  Fe  Fe23  1  0.679  1.000  0.000  1.0
  Fe  Fe24  1  0.000  0.679  0.000  1.0
  Fe  Fe25  1  0.000  1.000  0.679  1.0
[/CIF]
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