The crystal structure described by Fe7Ge4 crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 11-coordinate geometry to two equivalent Fe(2), four equivalent Fe(3), one Ge(2), and four equivalent Ge(1) atoms. In the second Fe site, Fe(2) is bonded in a 14-coordinate geometry to two equivalent Fe(2), six equivalent Fe(1), and six equivalent Ge(1) atoms. In the third Fe site, Fe(3) is bonded to two equivalent Fe(3), four equivalent Fe(1), two equivalent Ge(2), and four equivalent Ge(1) atoms to form a mixture of distorted corner, face, and edge-sharing FeFe6Ge6 cuboctahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 8-coordinate geometry to two equivalent Fe(2), four equivalent Fe(1), and four equivalent Fe(3) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to three equivalent Fe(1) and six equivalent Fe(3) atoms. is represented by the CIF card [CIF]
data_Fe7Ge4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.083
_cell_length_b   8.083
_cell_length_c   4.964
_cell_angle_alpha   90.000
_cell_angle_beta   90.001
_cell_angle_gamma   119.996
_symmetry_Int_Tables_number   1
_cell_volume   280.844
_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
  Fe  Fe0  1  0.159  0.318  0.250  1.0
  Fe  Fe1  1  0.841  0.682  0.750  1.0
  Fe  Fe2  1  0.682  0.841  0.250  1.0
  Fe  Fe3  1  0.318  0.159  0.750  1.0
  Fe  Fe4  1  0.159  0.841  0.250  1.0
  Fe  Fe5  1  0.841  0.159  0.750  1.0
  Fe  Fe6  1  0.000  0.000  0.000  1.0
  Fe  Fe7  1  0.000  0.000  0.500  1.0
  Fe  Fe8  1  0.500  1.000  0.000  1.0
  Fe  Fe9  1  0.000  0.500  0.000  1.0
  Fe  Fe10  1  0.500  1.000  0.500  1.0
  Fe  Fe11  1  0.500  0.500  0.000  1.0
  Fe  Fe12  1  0.000  0.500  0.500  1.0
  Fe  Fe13  1  0.500  0.500  0.500  1.0
  Ge  Ge14  1  0.810  0.620  0.250  1.0
  Ge  Ge15  1  0.190  0.380  0.750  1.0
  Ge  Ge16  1  0.380  0.190  0.250  1.0
  Ge  Ge17  1  0.620  0.810  0.750  1.0
  Ge  Ge18  1  0.810  0.190  0.250  1.0
  Ge  Ge19  1  0.190  0.810  0.750  1.0
  Ge  Ge20  1  0.333  0.667  0.250  1.0
  Ge  Ge21  1  0.667  0.333  0.750  1.0
[/CIF]
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The crystal structure described by Fe7Ge4 crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 11-coordinate geometry to two equivalent Fe(2), four equivalent Fe(3), one Ge(2), and four equivalent Ge(1) atoms. In the second Fe site, Fe(2) is bonded in a 14-coordinate geometry to two equivalent Fe(2), six equivalent Fe(1), and six equivalent Ge(1) atoms. In the third Fe site, Fe(3) is bonded to two equivalent Fe(3), four equivalent Fe(1), two equivalent Ge(2), and four equivalent Ge(1) atoms to form a mixture of distorted corner, face, and edge-sharing FeFe6Ge6 cuboctahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 8-coordinate geometry to two equivalent Fe(2), four equivalent Fe(1), and four equivalent Fe(3) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to three equivalent Fe(1) and six equivalent Fe(3) atoms. is represented by the CIF card [CIF]
data_Fe7Ge4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.083
_cell_length_b   8.083
_cell_length_c   4.964
_cell_angle_alpha   90.000
_cell_angle_beta   90.001
_cell_angle_gamma   119.996
_symmetry_Int_Tables_number   1
_cell_volume   280.844
_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
  Fe  Fe0  1  0.159  0.318  0.250  1.0
  Fe  Fe1  1  0.841  0.682  0.750  1.0
  Fe  Fe2  1  0.682  0.841  0.250  1.0
  Fe  Fe3  1  0.318  0.159  0.750  1.0
  Fe  Fe4  1  0.159  0.841  0.250  1.0
  Fe  Fe5  1  0.841  0.159  0.750  1.0
  Fe  Fe6  1  0.000  0.000  0.000  1.0
  Fe  Fe7  1  0.000  0.000  0.500  1.0
  Fe  Fe8  1  0.500  1.000  0.000  1.0
  Fe  Fe9  1  0.000  0.500  0.000  1.0
  Fe  Fe10  1  0.500  1.000  0.500  1.0
  Fe  Fe11  1  0.500  0.500  0.000  1.0
  Fe  Fe12  1  0.000  0.500  0.500  1.0
  Fe  Fe13  1  0.500  0.500  0.500  1.0
  Ge  Ge14  1  0.810  0.620  0.250  1.0
  Ge  Ge15  1  0.190  0.380  0.750  1.0
  Ge  Ge16  1  0.380  0.190  0.250  1.0
  Ge  Ge17  1  0.620  0.810  0.750  1.0
  Ge  Ge18  1  0.810  0.190  0.250  1.0
  Ge  Ge19  1  0.190  0.810  0.750  1.0
  Ge  Ge20  1  0.333  0.667  0.250  1.0
  Ge  Ge21  1  0.667  0.333  0.750  1.0
[/CIF]
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