The compound described by ZrCuGe2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal P4/nmm space group. Zr(1) is bonded to four equivalent Cu(1), four equivalent Ge(1), and four equivalent Ge(2) atoms to form distorted ZrCu4Ge8 cuboctahedra that share corners with four equivalent Zr(1)Cu4Ge8 cuboctahedra, edges with eight equivalent Zr(1)Cu4Ge8 cuboctahedra, edges with eight equivalent Cu(1)Zr4Cu4Ge4 cuboctahedra, faces with four equivalent Zr(1)Cu4Ge8 cuboctahedra, and faces with four equivalent Cu(1)Zr4Cu4Ge4 cuboctahedra. Cu(1) is bonded to four equivalent Zr(1), four equivalent Cu(1), and four equivalent Ge(2) atoms to form distorted CuZr4Cu4Ge4 cuboctahedra that share corners with four equivalent Cu(1)Zr4Cu4Ge4 cuboctahedra, edges with eight equivalent Zr(1)Cu4Ge8 cuboctahedra, faces with four equivalent Zr(1)Cu4Ge8 cuboctahedra, and faces with eight equivalent Cu(1)Zr4Cu4Ge4 cuboctahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 8-coordinate geometry to four equivalent Zr(1) and four equivalent Ge(1) atoms. In the second Ge site, Ge(2) is bonded in a 8-coordinate geometry to four equivalent Zr(1) and four equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_ZrCuGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.788
_cell_length_b   3.788
_cell_length_c   9.183
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   131.734
_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  0.000  0.500  0.763  1.0
  Zr  Zr1  1  0.500  0.000  0.237  1.0
  Cu  Cu2  1  0.500  0.500  0.500  1.0
  Cu  Cu3  1  0.000  0.000  0.500  1.0
  Ge  Ge4  1  0.500  0.500  0.000  1.0
  Ge  Ge5  1  0.000  0.000  0.000  1.0
  Ge  Ge6  1  0.000  0.500  0.330  1.0
  Ge  Ge7  1  0.500  0.000  0.670  1.0
[/CIF]
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The compound described by ZrCuGe2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal P4/nmm space group. Zr(1) is bonded to four equivalent Cu(1), four equivalent Ge(1), and four equivalent Ge(2) atoms to form distorted ZrCu4Ge8 cuboctahedra that share corners with four equivalent Zr(1)Cu4Ge8 cuboctahedra, edges with eight equivalent Zr(1)Cu4Ge8 cuboctahedra, edges with eight equivalent Cu(1)Zr4Cu4Ge4 cuboctahedra, faces with four equivalent Zr(1)Cu4Ge8 cuboctahedra, and faces with four equivalent Cu(1)Zr4Cu4Ge4 cuboctahedra. Cu(1) is bonded to four equivalent Zr(1), four equivalent Cu(1), and four equivalent Ge(2) atoms to form distorted CuZr4Cu4Ge4 cuboctahedra that share corners with four equivalent Cu(1)Zr4Cu4Ge4 cuboctahedra, edges with eight equivalent Zr(1)Cu4Ge8 cuboctahedra, faces with four equivalent Zr(1)Cu4Ge8 cuboctahedra, and faces with eight equivalent Cu(1)Zr4Cu4Ge4 cuboctahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 8-coordinate geometry to four equivalent Zr(1) and four equivalent Ge(1) atoms. In the second Ge site, Ge(2) is bonded in a 8-coordinate geometry to four equivalent Zr(1) and four equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_ZrCuGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.788
_cell_length_b   3.788
_cell_length_c   9.183
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   131.734
_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  0.000  0.500  0.763  1.0
  Zr  Zr1  1  0.500  0.000  0.237  1.0
  Cu  Cu2  1  0.500  0.500  0.500  1.0
  Cu  Cu3  1  0.000  0.000  0.500  1.0
  Ge  Ge4  1  0.500  0.500  0.000  1.0
  Ge  Ge5  1  0.000  0.000  0.000  1.0
  Ge  Ge6  1  0.000  0.500  0.330  1.0
  Ge  Ge7  1  0.500  0.000  0.670  1.0
[/CIF]
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