The compound described by Ni5Zn4Ge is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a body-centered cubic geometry to four equivalent Zn(1) and four equivalent Ge(1) atoms. In the second Ni site, Ni(2) is bonded in a body-centered cubic geometry to four equivalent Zn(1) and four equivalent Zn(2) atoms. In the third Ni site, Ni(3) is bonded in a body-centered cubic geometry to eight equivalent Zn(2) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ni(1) and four equivalent Ni(2) atoms. In the second Zn site, Zn(2) is bonded in a body-centered cubic geometry to four equivalent Ni(2) and four equivalent Ni(3) atoms. Ge(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn4Ni5Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.894
_cell_length_b   2.894
_cell_length_c   14.571
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   122.058
_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
  Zn  Zn0  1  0.000  0.000  0.202  1.0
  Zn  Zn1  1  0.000  0.000  0.400  1.0
  Zn  Zn2  1  0.000  0.000  0.600  1.0
  Zn  Zn3  1  0.000  0.000  0.798  1.0
  Ni  Ni4  1  0.500  0.500  0.097  1.0
  Ni  Ni5  1  0.500  0.500  0.301  1.0
  Ni  Ni6  1  0.500  0.500  0.500  1.0
  Ni  Ni7  1  0.500  0.500  0.699  1.0
  Ni  Ni8  1  0.500  0.500  0.903  1.0
  Ge  Ge9  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Ni5Zn4Ge is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a body-centered cubic geometry to four equivalent Zn(1) and four equivalent Ge(1) atoms. In the second Ni site, Ni(2) is bonded in a body-centered cubic geometry to four equivalent Zn(1) and four equivalent Zn(2) atoms. In the third Ni site, Ni(3) is bonded in a body-centered cubic geometry to eight equivalent Zn(2) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ni(1) and four equivalent Ni(2) atoms. In the second Zn site, Zn(2) is bonded in a body-centered cubic geometry to four equivalent Ni(2) and four equivalent Ni(3) atoms. Ge(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn4Ni5Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.894
_cell_length_b   2.894
_cell_length_c   14.571
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   122.058
_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
  Zn  Zn0  1  0.000  0.000  0.202  1.0
  Zn  Zn1  1  0.000  0.000  0.400  1.0
  Zn  Zn2  1  0.000  0.000  0.600  1.0
  Zn  Zn3  1  0.000  0.000  0.798  1.0
  Ni  Ni4  1  0.500  0.500  0.097  1.0
  Ni  Ni5  1  0.500  0.500  0.301  1.0
  Ni  Ni6  1  0.500  0.500  0.500  1.0
  Ni  Ni7  1  0.500  0.500  0.699  1.0
  Ni  Ni8  1  0.500  0.500  0.903  1.0
  Ge  Ge9  1  0.000  0.000  0.000  1.0
[/CIF]
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