The compound described by Fe13Ge3 crystallizes in the cubic Pm-3m space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 8-coordinate geometry to one Fe(3), one Fe(4), three equivalent Fe(2), and three equivalent Ge(1) atoms. In the second Fe site, Fe(2) is bonded in a 14-coordinate geometry to two equivalent Fe(3), eight equivalent Fe(1), and four equivalent Ge(1) atoms. In the third Fe site, Fe(3) is bonded in a body-centered cubic geometry to six equivalent Fe(2) and eight equivalent Fe(1) atoms. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to eight equivalent Fe(1) and six equivalent Ge(1) atoms. Ge(1) is bonded in a distorted body-centered cubic geometry to two equivalent Fe(4), four equivalent Fe(2), and eight equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_Fe13Ge3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.769
_cell_length_b   5.761
_cell_length_c   5.766
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   191.617
_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
  Fe  Fe0  1  0.254  0.254  0.746  1.0
  Fe  Fe1  1  0.254  0.254  0.254  1.0
  Fe  Fe2  1  0.254  0.745  0.746  1.0
  Fe  Fe3  1  0.746  0.746  0.254  1.0
  Fe  Fe4  1  0.746  0.255  0.254  1.0
  Fe  Fe5  1  0.500  1.000  0.500  1.0
  Fe  Fe6  1  0.500  0.500  0.500  1.0
  Fe  Fe7  1  0.746  0.255  0.746  1.0
  Fe  Fe8  1  0.254  0.746  0.254  1.0
  Fe  Fe9  1  0.000  0.500  0.500  1.0
  Fe  Fe10  1  0.746  0.745  0.746  1.0
  Fe  Fe11  1  0.500  0.500  1.000  1.0
  Fe  Fe12  1  0.000  0.000  1.000  1.0
  Ge  Ge13  1  0.500  1.000  1.000  1.0
  Ge  Ge14  1  0.000  1.000  0.500  1.0
  Ge  Ge15  1  0.000  0.500  0.000  1.0
[/CIF]
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The compound described by Fe13Ge3 crystallizes in the cubic Pm-3m space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 8-coordinate geometry to one Fe(3), one Fe(4), three equivalent Fe(2), and three equivalent Ge(1) atoms. In the second Fe site, Fe(2) is bonded in a 14-coordinate geometry to two equivalent Fe(3), eight equivalent Fe(1), and four equivalent Ge(1) atoms. In the third Fe site, Fe(3) is bonded in a body-centered cubic geometry to six equivalent Fe(2) and eight equivalent Fe(1) atoms. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to eight equivalent Fe(1) and six equivalent Ge(1) atoms. Ge(1) is bonded in a distorted body-centered cubic geometry to two equivalent Fe(4), four equivalent Fe(2), and eight equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_Fe13Ge3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.769
_cell_length_b   5.761
_cell_length_c   5.766
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   191.617
_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
  Fe  Fe0  1  0.254  0.254  0.746  1.0
  Fe  Fe1  1  0.254  0.254  0.254  1.0
  Fe  Fe2  1  0.254  0.745  0.746  1.0
  Fe  Fe3  1  0.746  0.746  0.254  1.0
  Fe  Fe4  1  0.746  0.255  0.254  1.0
  Fe  Fe5  1  0.500  1.000  0.500  1.0
  Fe  Fe6  1  0.500  0.500  0.500  1.0
  Fe  Fe7  1  0.746  0.255  0.746  1.0
  Fe  Fe8  1  0.254  0.746  0.254  1.0
  Fe  Fe9  1  0.000  0.500  0.500  1.0
  Fe  Fe10  1  0.746  0.745  0.746  1.0
  Fe  Fe11  1  0.500  0.500  1.000  1.0
  Fe  Fe12  1  0.000  0.000  1.000  1.0
  Ge  Ge13  1  0.500  1.000  1.000  1.0
  Ge  Ge14  1  0.000  1.000  0.500  1.0
  Ge  Ge15  1  0.000  0.500  0.000  1.0
[/CIF]
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