The structure described by Zr3(Cu2Ge)2 crystallizes in the hexagonal P-62m space group. Zr(1) is bonded in a 11-coordinate geometry to one Cu(1), six equivalent Cu(2), and four equivalent Ge(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted trigonal planar geometry to three equivalent Zr(1) and six equivalent Cu(2) atoms. In the second Cu site, Cu(2) is bonded to six equivalent Zr(1), two equivalent Cu(1), two equivalent Cu(2), and two equivalent Ge(1) atoms to form a mixture of distorted edge, face, and corner-sharing CuZr6Cu4Ge2 cuboctahedra. Ge(1) is bonded in a 9-coordinate geometry to six equivalent Zr(1) and three equivalent Cu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr3(Cu2Ge)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.405
_cell_length_b   6.405
_cell_length_c   4.005
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   142.270
_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
  Zr  Zr0  1  0.000  0.591  0.500  1.0
  Zr  Zr1  1  0.409  0.409  0.500  1.0
  Zr  Zr2  1  0.591  0.000  0.500  1.0
  Cu  Cu3  1  0.000  0.000  0.500  1.0
  Cu  Cu4  1  0.239  0.000  0.000  1.0
  Cu  Cu5  1  0.761  0.761  0.000  1.0
  Cu  Cu6  1  0.000  0.239  0.000  1.0
  Ge  Ge7  1  0.667  0.333  0.000  1.0
  Ge  Ge8  1  0.333  0.667  0.000  1.0
[/CIF]
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The structure described by Zr3(Cu2Ge)2 crystallizes in the hexagonal P-62m space group. Zr(1) is bonded in a 11-coordinate geometry to one Cu(1), six equivalent Cu(2), and four equivalent Ge(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted trigonal planar geometry to three equivalent Zr(1) and six equivalent Cu(2) atoms. In the second Cu site, Cu(2) is bonded to six equivalent Zr(1), two equivalent Cu(1), two equivalent Cu(2), and two equivalent Ge(1) atoms to form a mixture of distorted edge, face, and corner-sharing CuZr6Cu4Ge2 cuboctahedra. Ge(1) is bonded in a 9-coordinate geometry to six equivalent Zr(1) and three equivalent Cu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr3(Cu2Ge)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.405
_cell_length_b   6.405
_cell_length_c   4.005
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   142.270
_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
  Zr  Zr0  1  0.000  0.591  0.500  1.0
  Zr  Zr1  1  0.409  0.409  0.500  1.0
  Zr  Zr2  1  0.591  0.000  0.500  1.0
  Cu  Cu3  1  0.000  0.000  0.500  1.0
  Cu  Cu4  1  0.239  0.000  0.000  1.0
  Cu  Cu5  1  0.761  0.761  0.000  1.0
  Cu  Cu6  1  0.000  0.239  0.000  1.0
  Ge  Ge7  1  0.667  0.333  0.000  1.0
  Ge  Ge8  1  0.333  0.667  0.000  1.0
[/CIF]
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