The crystal structure described by Fe3Ni3Ge2 is Tungsten-derived structured and crystallizes in the trigonal R3m space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted body-centered cubic geometry to one Ni(3), three equivalent Ni(1), three equivalent Ni(2), one Ge(2), and three equivalent Ge(1) atoms. In the second Fe site, Fe(2) is bonded in a distorted body-centered cubic geometry to one Ni(2), three equivalent Ni(1), three equivalent Ni(3), one Ge(1), and three equivalent Ge(2) atoms. In the third Fe site, Fe(3) is bonded in a body-centered cubic geometry to one Ni(3), three equivalent Ni(2), one Ge(1), and three equivalent Ge(2) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 14-coordinate geometry to three equivalent Fe(1), three equivalent Fe(2), one Ni(2), three equivalent Ni(3), one Ge(2), and three equivalent Ge(1) atoms. In the second Ni site, Ni(2) is bonded in a 14-coordinate geometry to one Fe(2), three equivalent Fe(1), three equivalent Fe(3), one Ni(1), three equivalent Ge(1), and three equivalent Ge(2) atoms. In the third Ni site, Ni(3) is bonded in a 14-coordinate geometry to one Fe(1), one Fe(3), three equivalent Fe(2), three equivalent Ni(1), three equivalent Ge(1), and three equivalent Ge(2) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a distorted body-centered cubic geometry to one Fe(2), one Fe(3), three equivalent Fe(1), three equivalent Ni(1), three equivalent Ni(2), and three equivalent Ni(3) atoms. In the second Ge site, Ge(2) is bonded in a distorted body-centered cubic geometry to one Fe(1), three equivalent Fe(2), three equivalent Fe(3), one Ni(1), three equivalent Ni(2), and three equivalent Ni(3) atoms. is represented by the CIF card [CIF]
data_Fe3Ni3Ge2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.016
_cell_length_b   7.016
_cell_length_c   7.016
_cell_angle_alpha   33.540
_cell_angle_beta   33.540
_cell_angle_gamma   33.540
_symmetry_Int_Tables_number   1
_cell_volume   93.917
_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  0.375  0.375  0.375  1.0
  Fe  Fe1  1  0.875  0.875  0.875  1.0
  Fe  Fe2  1  0.124  0.124  0.124  1.0
  Ni  Ni3  1  0.625  0.625  0.625  1.0
  Ni  Ni4  1  0.749  0.749  0.749  1.0
  Ni  Ni5  1  0.251  0.251  0.251  1.0
  Ge  Ge6  1  1.000  1.000  1.000  1.0
  Ge  Ge7  1  0.500  0.500  0.500  1.0
[/CIF]
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The crystal structure described by Fe3Ni3Ge2 is Tungsten-derived structured and crystallizes in the trigonal R3m space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted body-centered cubic geometry to one Ni(3), three equivalent Ni(1), three equivalent Ni(2), one Ge(2), and three equivalent Ge(1) atoms. In the second Fe site, Fe(2) is bonded in a distorted body-centered cubic geometry to one Ni(2), three equivalent Ni(1), three equivalent Ni(3), one Ge(1), and three equivalent Ge(2) atoms. In the third Fe site, Fe(3) is bonded in a body-centered cubic geometry to one Ni(3), three equivalent Ni(2), one Ge(1), and three equivalent Ge(2) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 14-coordinate geometry to three equivalent Fe(1), three equivalent Fe(2), one Ni(2), three equivalent Ni(3), one Ge(2), and three equivalent Ge(1) atoms. In the second Ni site, Ni(2) is bonded in a 14-coordinate geometry to one Fe(2), three equivalent Fe(1), three equivalent Fe(3), one Ni(1), three equivalent Ge(1), and three equivalent Ge(2) atoms. In the third Ni site, Ni(3) is bonded in a 14-coordinate geometry to one Fe(1), one Fe(3), three equivalent Fe(2), three equivalent Ni(1), three equivalent Ge(1), and three equivalent Ge(2) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a distorted body-centered cubic geometry to one Fe(2), one Fe(3), three equivalent Fe(1), three equivalent Ni(1), three equivalent Ni(2), and three equivalent Ni(3) atoms. In the second Ge site, Ge(2) is bonded in a distorted body-centered cubic geometry to one Fe(1), three equivalent Fe(2), three equivalent Fe(3), one Ni(1), three equivalent Ni(2), and three equivalent Ni(3) atoms. is represented by the CIF card [CIF]
data_Fe3Ni3Ge2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.016
_cell_length_b   7.016
_cell_length_c   7.016
_cell_angle_alpha   33.540
_cell_angle_beta   33.540
_cell_angle_gamma   33.540
_symmetry_Int_Tables_number   1
_cell_volume   93.917
_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  0.375  0.375  0.375  1.0
  Fe  Fe1  1  0.875  0.875  0.875  1.0
  Fe  Fe2  1  0.124  0.124  0.124  1.0
  Ni  Ni3  1  0.625  0.625  0.625  1.0
  Ni  Ni4  1  0.749  0.749  0.749  1.0
  Ni  Ni5  1  0.251  0.251  0.251  1.0
  Ge  Ge6  1  1.000  1.000  1.000  1.0
  Ge  Ge7  1  0.500  0.500  0.500  1.0
[/CIF]
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