The material structure described by Hf3Ni4Ge4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 12-coordinate geometry to six equivalent Ni(1), two equivalent Ge(1), and four equivalent Ge(2) atoms. In the second Hf site, Hf(2) is bonded to two equivalent Ge(1) and four equivalent Ge(2) atoms to form edge-sharing HfGe6 octahedra. Ni(1) is bonded in a 7-coordinate geometry to three equivalent Hf(1), one Ge(2), and three equivalent Ge(1) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to one Hf(2), two equivalent Hf(1), and six equivalent Ni(1) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Hf(2), four equivalent Hf(1), two equivalent Ni(1), and one Ge(2) atom. is represented by the CIF card [CIF]
data_Hf3(NiGe)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.881
_cell_length_b   6.473
_cell_length_c   7.429
_cell_angle_alpha   115.788
_cell_angle_beta   105.129
_cell_angle_gamma   90.002
_symmetry_Int_Tables_number   1
_cell_volume   160.834
_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
  Hf  Hf0  1  0.128  0.128  0.256  1.0
  Hf  Hf1  1  0.872  0.872  0.744  1.0
  Hf  Hf2  1  0.000  0.500  0.000  1.0
  Ni  Ni3  1  0.322  0.122  0.645  1.0
  Ni  Ni4  1  0.678  0.878  0.355  1.0
  Ni  Ni5  1  0.322  0.523  0.646  1.0
  Ni  Ni6  1  0.678  0.477  0.354  1.0
  Ge  Ge7  1  0.214  0.713  0.426  1.0
  Ge  Ge8  1  0.500  0.200  1.000  1.0
  Ge  Ge9  1  0.500  0.800  0.000  1.0
  Ge  Ge10  1  0.786  0.287  0.574  1.0
[/CIF]
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The material structure described by Hf3Ni4Ge4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 12-coordinate geometry to six equivalent Ni(1), two equivalent Ge(1), and four equivalent Ge(2) atoms. In the second Hf site, Hf(2) is bonded to two equivalent Ge(1) and four equivalent Ge(2) atoms to form edge-sharing HfGe6 octahedra. Ni(1) is bonded in a 7-coordinate geometry to three equivalent Hf(1), one Ge(2), and three equivalent Ge(1) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to one Hf(2), two equivalent Hf(1), and six equivalent Ni(1) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Hf(2), four equivalent Hf(1), two equivalent Ni(1), and one Ge(2) atom. is represented by the CIF card [CIF]
data_Hf3(NiGe)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.881
_cell_length_b   6.473
_cell_length_c   7.429
_cell_angle_alpha   115.788
_cell_angle_beta   105.129
_cell_angle_gamma   90.002
_symmetry_Int_Tables_number   1
_cell_volume   160.834
_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
  Hf  Hf0  1  0.128  0.128  0.256  1.0
  Hf  Hf1  1  0.872  0.872  0.744  1.0
  Hf  Hf2  1  0.000  0.500  0.000  1.0
  Ni  Ni3  1  0.322  0.122  0.645  1.0
  Ni  Ni4  1  0.678  0.878  0.355  1.0
  Ni  Ni5  1  0.322  0.523  0.646  1.0
  Ni  Ni6  1  0.678  0.477  0.354  1.0
  Ge  Ge7  1  0.214  0.713  0.426  1.0
  Ge  Ge8  1  0.500  0.200  1.000  1.0
  Ge  Ge9  1  0.500  0.800  0.000  1.0
  Ge  Ge10  1  0.786  0.287  0.574  1.0
[/CIF]
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