The material structure described by ZrZn2Ge crystallizes in the tetragonal I4/mmm space group. Zr(1) is bonded to four equivalent Zn(1), four equivalent Zn(2), and four equivalent Ge(1) atoms to form ZrZn8Ge4 cuboctahedra that share corners with eight equivalent Zr(1)Zn8Ge4 cuboctahedra, edges with four equivalent Zr(1)Zn8Ge4 cuboctahedra, edges with eight equivalent Zn(2)Zr4Zn8 cuboctahedra, faces with four equivalent Zn(2)Zr4Zn8 cuboctahedra, and faces with five equivalent Zr(1)Zn8Ge4 cuboctahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 8-coordinate geometry to four equivalent Zr(1) and four equivalent Zn(2) atoms. In the second Zn site, Zn(2) is bonded to four equivalent Zr(1), four equivalent Zn(1), and four equivalent Zn(2) atoms to form ZnZr4Zn8 cuboctahedra that share corners with four equivalent Zn(2)Zr4Zn8 cuboctahedra, edges with eight equivalent Zr(1)Zn8Ge4 cuboctahedra, faces with four equivalent Zr(1)Zn8Ge4 cuboctahedra, and faces with eight equivalent Zn(2)Zr4Zn8 cuboctahedra. Ge(1) is bonded in a 4-coordinate geometry to four equivalent Zr(1) atoms. is represented by the CIF card [CIF]
data_ZrZn2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.028
_cell_length_b   9.028
_cell_length_c   9.028
_cell_angle_alpha   154.383
_cell_angle_beta   154.383
_cell_angle_gamma   36.543
_symmetry_Int_Tables_number   1
_cell_volume   137.366
_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
  Zr  Zr0  1  0.126  0.126  0.000  1.0
  Zr  Zr1  1  0.874  0.874  0.000  1.0
  Zn  Zn2  1  0.395  0.395  0.000  1.0
  Zn  Zn3  1  0.605  0.605  0.000  1.0
  Zn  Zn4  1  0.500  0.000  0.500  1.0
  Zn  Zn5  1  0.000  0.500  0.500  1.0
  Ge  Ge6  1  0.750  0.250  0.500  1.0
  Ge  Ge7  1  0.250  0.750  0.500  1.0
[/CIF]
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The material structure described by ZrZn2Ge crystallizes in the tetragonal I4/mmm space group. Zr(1) is bonded to four equivalent Zn(1), four equivalent Zn(2), and four equivalent Ge(1) atoms to form ZrZn8Ge4 cuboctahedra that share corners with eight equivalent Zr(1)Zn8Ge4 cuboctahedra, edges with four equivalent Zr(1)Zn8Ge4 cuboctahedra, edges with eight equivalent Zn(2)Zr4Zn8 cuboctahedra, faces with four equivalent Zn(2)Zr4Zn8 cuboctahedra, and faces with five equivalent Zr(1)Zn8Ge4 cuboctahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 8-coordinate geometry to four equivalent Zr(1) and four equivalent Zn(2) atoms. In the second Zn site, Zn(2) is bonded to four equivalent Zr(1), four equivalent Zn(1), and four equivalent Zn(2) atoms to form ZnZr4Zn8 cuboctahedra that share corners with four equivalent Zn(2)Zr4Zn8 cuboctahedra, edges with eight equivalent Zr(1)Zn8Ge4 cuboctahedra, faces with four equivalent Zr(1)Zn8Ge4 cuboctahedra, and faces with eight equivalent Zn(2)Zr4Zn8 cuboctahedra. Ge(1) is bonded in a 4-coordinate geometry to four equivalent Zr(1) atoms. is represented by the CIF card [CIF]
data_ZrZn2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.028
_cell_length_b   9.028
_cell_length_c   9.028
_cell_angle_alpha   154.383
_cell_angle_beta   154.383
_cell_angle_gamma   36.543
_symmetry_Int_Tables_number   1
_cell_volume   137.366
_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
  Zr  Zr0  1  0.126  0.126  0.000  1.0
  Zr  Zr1  1  0.874  0.874  0.000  1.0
  Zn  Zn2  1  0.395  0.395  0.000  1.0
  Zn  Zn3  1  0.605  0.605  0.000  1.0
  Zn  Zn4  1  0.500  0.000  0.500  1.0
  Zn  Zn5  1  0.000  0.500  0.500  1.0
  Ge  Ge6  1  0.750  0.250  0.500  1.0
  Ge  Ge7  1  0.250  0.750  0.500  1.0
[/CIF]
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