The crystal structure described by Fe4Zn9 is gamma-brass-like structured and crystallizes in the monoclinic Cm space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 13-coordinate geometry to one Fe(3), one Fe(4), one Fe(6), one Zn(2), one Zn(7), two equivalent Zn(1), two equivalent Zn(4), two equivalent Zn(6), and two equivalent Zn(9) atoms. In the second Fe site, Fe(2) is bonded in a 13-coordinate geometry to one Fe(4), one Fe(5), one Zn(10), one Zn(11), one Zn(2), one Zn(3), one Zn(4), one Zn(6), one Zn(9), two equivalent Zn(1), and two equivalent Zn(5) atoms. In the third Fe site, Fe(3) is bonded in a 13-coordinate geometry to one Fe(1), two equivalent Fe(5), one Zn(10), one Zn(2), one Zn(7), one Zn(8), two equivalent Zn(3), two equivalent Zn(4), and two equivalent Zn(5) atoms. In the fourth Fe site, Fe(4) is bonded in a 12-coordinate geometry to one Fe(1), one Fe(6), two equivalent Fe(2), two equivalent Fe(5), one Zn(10), one Zn(2), two equivalent Zn(1), and two equivalent Zn(9) atoms. In the fifth Fe site, Fe(5) is bonded in a 12-coordinate geometry to one Fe(2), one Fe(3), one Fe(4), one Fe(5), one Fe(6), one Zn(10), one Zn(11), one Zn(3), one Zn(4), one Zn(5), one Zn(8), and one Zn(9) atom. In the sixth Fe site, Fe(6) is bonded in a 12-coordinate geometry to one Fe(1), one Fe(4), two equivalent Fe(5), one Zn(7), one Zn(8), two equivalent Zn(11), two equivalent Zn(6), and two equivalent Zn(9) atoms. There are eleven inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 11-coordinate geometry to one Fe(1), one Fe(4), two equivalent Fe(2), one Zn(11), one Zn(3), one Zn(4), one Zn(5), one Zn(7), one Zn(8), and one Zn(9) atom. In the second Zn site, Zn(2) is bonded in a 11-coordinate geometry to one Fe(1), one Fe(3), one Fe(4), two equivalent Fe(2), one Zn(10), one Zn(8), two equivalent Zn(3), and two equivalent Zn(6) atoms. In the third Zn site, Zn(3) is bonded in a 11-coordinate geometry to one Fe(2), one Fe(3), one Fe(5), one Zn(1), one Zn(2), one Zn(4), one Zn(6), one Zn(8), one Zn(9), and two equivalent Zn(11) atoms. In the fourth Zn site, Zn(4) is bonded in a 11-coordinate geometry to one Fe(1), one Fe(2), one Fe(3), one Fe(5), one Zn(1), one Zn(11), one Zn(3), one Zn(5), one Zn(6), and two equivalent Zn(9) atoms. In the fifth Zn site, Zn(5) is bonded in a 11-coordinate geometry to one Fe(3), one Fe(5), two equivalent Fe(2), one Zn(1), one Zn(10), one Zn(11), one Zn(4), one Zn(6), one Zn(7), and one Zn(9) atom. In the sixth Zn site, Zn(6) is bonded in a 11-coordinate geometry to one Fe(1), one Fe(2), one Fe(6), one Zn(10), one Zn(2), one Zn(3), one Zn(4), one Zn(5), one Zn(9), and two equivalent Zn(11) atoms. In the seventh Zn site, Zn(7) is bonded in a 11-coordinate geometry to one Fe(1), one Fe(3), one Fe(6), one Zn(10), one Zn(8), two equivalent Zn(1), two equivalent Zn(11), and two equivalent Zn(5) atoms. In the eighth Zn site, Zn(8) is bonded in a 12-coordinate geometry to one Fe(3), one Fe(6), two equivalent Fe(5), one Zn(2), one Zn(7), two equivalent Zn(1), two equivalent Zn(11), and two equivalent Zn(3) atoms. In the ninth Zn site, Zn(9) is bonded in a 12-coordinate geometry to one Fe(1), one Fe(2), one Fe(4), one Fe(5), one Fe(6), one Zn(1), one Zn(11), one Zn(3), one Zn(5), one Zn(6), and two equivalent Zn(4) atoms. In the tenth Zn site, Zn(10) is bonded in a 12-coordinate geometry to one Fe(3), one Fe(4), two equivalent Fe(2), two equivalent Fe(5), one Zn(2), one Zn(7), two equivalent Zn(5), and two equivalent Zn(6) atoms. In the eleventh Zn site, Zn(11) is bonded in a 13-coordinate geometry to one Fe(2), one Fe(5), one Fe(6), one Zn(1), one Zn(4), one Zn(5), one Zn(7), one Zn(8), one Zn(9), two equivalent Zn(3), and two equivalent Zn(6) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn9Fe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.764
_cell_length_b   7.764
_cell_length_c   7.769
_cell_angle_alpha   70.918
_cell_angle_beta   70.918
_cell_angle_gamma   110.098
_symmetry_Int_Tables_number   1
_cell_volume   361.094
_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  0.992  0.271  0.347  1.0
  Zn  Zn1  1  0.726  0.726  0.620  1.0
  Zn  Zn2  1  0.271  0.992  0.347  1.0
  Zn  Zn3  1  0.988  0.651  0.730  1.0
  Zn  Zn4  1  0.272  0.644  0.016  1.0
  Zn  Zn5  1  0.730  0.383  0.274  1.0
  Zn  Zn6  1  0.383  0.730  0.274  1.0
  Zn  Zn7  1  0.644  0.272  0.016  1.0
  Zn  Zn8  1  0.651  0.988  0.730  1.0
  Zn  Zn9  1  0.624  0.351  0.658  1.0
  Zn  Zn10  1  0.348  0.348  0.364  1.0
  Zn  Zn11  1  0.351  0.624  0.658  1.0
  Zn  Zn12  1  0.002  0.002  0.662  1.0
  Zn  Zn13  1  0.001  0.339  0.998  1.0
  Zn  Zn14  1  0.339  0.001  0.998  1.0
  Zn  Zn15  1  0.660  0.660  0.340  1.0
  Zn  Zn16  1  0.363  0.002  0.636  1.0
  Zn  Zn17  1  0.002  0.363  0.636  1.0
  Fe  Fe18  1  0.352  0.352  0.994  1.0
  Fe  Fe19  1  0.657  0.002  0.342  1.0
  Fe  Fe20  1  0.002  0.657  0.342  1.0
  Fe  Fe21  1  0.651  0.651  0.998  1.0
  Fe  Fe22  1  0.002  0.002  0.215  1.0
  Fe  Fe23  1  0.998  0.791  0.003  1.0
  Fe  Fe24  1  0.791  0.998  0.003  1.0
  Fe  Fe25  1  0.201  0.201  0.800  1.0
[/CIF]
.
The crystal structure described by Fe4Zn9 is gamma-brass-like structured and crystallizes in the monoclinic Cm space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 13-coordinate geometry to one Fe(3), one Fe(4), one Fe(6), one Zn(2), one Zn(7), two equivalent Zn(1), two equivalent Zn(4), two equivalent Zn(6), and two equivalent Zn(9) atoms. In the second Fe site, Fe(2) is bonded in a 13-coordinate geometry to one Fe(4), one Fe(5), one Zn(10), one Zn(11), one Zn(2), one Zn(3), one Zn(4), one Zn(6), one Zn(9), two equivalent Zn(1), and two equivalent Zn(5) atoms. In the third Fe site, Fe(3) is bonded in a 13-coordinate geometry to one Fe(1), two equivalent Fe(5), one Zn(10), one Zn(2), one Zn(7), one Zn(8), two equivalent Zn(3), two equivalent Zn(4), and two equivalent Zn(5) atoms. In the fourth Fe site, Fe(4) is bonded in a 12-coordinate geometry to one Fe(1), one Fe(6), two equivalent Fe(2), two equivalent Fe(5), one Zn(10), one Zn(2), two equivalent Zn(1), and two equivalent Zn(9) atoms. In the fifth Fe site, Fe(5) is bonded in a 12-coordinate geometry to one Fe(2), one Fe(3), one Fe(4), one Fe(5), one Fe(6), one Zn(10), one Zn(11), one Zn(3), one Zn(4), one Zn(5), one Zn(8), and one Zn(9) atom. In the sixth Fe site, Fe(6) is bonded in a 12-coordinate geometry to one Fe(1), one Fe(4), two equivalent Fe(5), one Zn(7), one Zn(8), two equivalent Zn(11), two equivalent Zn(6), and two equivalent Zn(9) atoms. There are eleven inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 11-coordinate geometry to one Fe(1), one Fe(4), two equivalent Fe(2), one Zn(11), one Zn(3), one Zn(4), one Zn(5), one Zn(7), one Zn(8), and one Zn(9) atom. In the second Zn site, Zn(2) is bonded in a 11-coordinate geometry to one Fe(1), one Fe(3), one Fe(4), two equivalent Fe(2), one Zn(10), one Zn(8), two equivalent Zn(3), and two equivalent Zn(6) atoms. In the third Zn site, Zn(3) is bonded in a 11-coordinate geometry to one Fe(2), one Fe(3), one Fe(5), one Zn(1), one Zn(2), one Zn(4), one Zn(6), one Zn(8), one Zn(9), and two equivalent Zn(11) atoms. In the fourth Zn site, Zn(4) is bonded in a 11-coordinate geometry to one Fe(1), one Fe(2), one Fe(3), one Fe(5), one Zn(1), one Zn(11), one Zn(3), one Zn(5), one Zn(6), and two equivalent Zn(9) atoms. In the fifth Zn site, Zn(5) is bonded in a 11-coordinate geometry to one Fe(3), one Fe(5), two equivalent Fe(2), one Zn(1), one Zn(10), one Zn(11), one Zn(4), one Zn(6), one Zn(7), and one Zn(9) atom. In the sixth Zn site, Zn(6) is bonded in a 11-coordinate geometry to one Fe(1), one Fe(2), one Fe(6), one Zn(10), one Zn(2), one Zn(3), one Zn(4), one Zn(5), one Zn(9), and two equivalent Zn(11) atoms. In the seventh Zn site, Zn(7) is bonded in a 11-coordinate geometry to one Fe(1), one Fe(3), one Fe(6), one Zn(10), one Zn(8), two equivalent Zn(1), two equivalent Zn(11), and two equivalent Zn(5) atoms. In the eighth Zn site, Zn(8) is bonded in a 12-coordinate geometry to one Fe(3), one Fe(6), two equivalent Fe(5), one Zn(2), one Zn(7), two equivalent Zn(1), two equivalent Zn(11), and two equivalent Zn(3) atoms. In the ninth Zn site, Zn(9) is bonded in a 12-coordinate geometry to one Fe(1), one Fe(2), one Fe(4), one Fe(5), one Fe(6), one Zn(1), one Zn(11), one Zn(3), one Zn(5), one Zn(6), and two equivalent Zn(4) atoms. In the tenth Zn site, Zn(10) is bonded in a 12-coordinate geometry to one Fe(3), one Fe(4), two equivalent Fe(2), two equivalent Fe(5), one Zn(2), one Zn(7), two equivalent Zn(5), and two equivalent Zn(6) atoms. In the eleventh Zn site, Zn(11) is bonded in a 13-coordinate geometry to one Fe(2), one Fe(5), one Fe(6), one Zn(1), one Zn(4), one Zn(5), one Zn(7), one Zn(8), one Zn(9), two equivalent Zn(3), and two equivalent Zn(6) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn9Fe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.764
_cell_length_b   7.764
_cell_length_c   7.769
_cell_angle_alpha   70.918
_cell_angle_beta   70.918
_cell_angle_gamma   110.098
_symmetry_Int_Tables_number   1
_cell_volume   361.094
_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  0.992  0.271  0.347  1.0
  Zn  Zn1  1  0.726  0.726  0.620  1.0
  Zn  Zn2  1  0.271  0.992  0.347  1.0
  Zn  Zn3  1  0.988  0.651  0.730  1.0
  Zn  Zn4  1  0.272  0.644  0.016  1.0
  Zn  Zn5  1  0.730  0.383  0.274  1.0
  Zn  Zn6  1  0.383  0.730  0.274  1.0
  Zn  Zn7  1  0.644  0.272  0.016  1.0
  Zn  Zn8  1  0.651  0.988  0.730  1.0
  Zn  Zn9  1  0.624  0.351  0.658  1.0
  Zn  Zn10  1  0.348  0.348  0.364  1.0
  Zn  Zn11  1  0.351  0.624  0.658  1.0
  Zn  Zn12  1  0.002  0.002  0.662  1.0
  Zn  Zn13  1  0.001  0.339  0.998  1.0
  Zn  Zn14  1  0.339  0.001  0.998  1.0
  Zn  Zn15  1  0.660  0.660  0.340  1.0
  Zn  Zn16  1  0.363  0.002  0.636  1.0
  Zn  Zn17  1  0.002  0.363  0.636  1.0
  Fe  Fe18  1  0.352  0.352  0.994  1.0
  Fe  Fe19  1  0.657  0.002  0.342  1.0
  Fe  Fe20  1  0.002  0.657  0.342  1.0
  Fe  Fe21  1  0.651  0.651  0.998  1.0
  Fe  Fe22  1  0.002  0.002  0.215  1.0
  Fe  Fe23  1  0.998  0.791  0.003  1.0
  Fe  Fe24  1  0.791  0.998  0.003  1.0
  Fe  Fe25  1  0.201  0.201  0.800  1.0
[/CIF]
.