The material described by CuFe2Ge2 crystallizes in the orthorhombic Pmma space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 9-coordinate geometry to two equivalent Fe(2), four equivalent Cu(1), two equivalent Ge(1), and three equivalent Ge(2) atoms. In the second Fe site, Fe(2) is bonded in a 10-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), two equivalent Ge(2), and four equivalent Ge(1) atoms. Cu(1) is bonded to four equivalent Fe(1), two equivalent Cu(1), two equivalent Ge(1), and four equivalent Ge(2) atoms to form a mixture of face, corner, and edge-sharing CuFe4Cu2Ge6 cuboctahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 6-coordinate geometry to two equivalent Fe(1), four equivalent Fe(2), and two equivalent Cu(1) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Fe(2), three equivalent Fe(1), and four equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Fe2CuGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.926
_cell_length_b   4.944
_cell_length_c   6.875
_cell_angle_alpha   90.002
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   133.427
_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
  Fe  Fe0  1  0.500  0.250  0.153  1.0
  Fe  Fe1  1  0.500  0.750  0.847  1.0
  Fe  Fe2  1  0.500  0.500  0.500  1.0
  Fe  Fe3  1  0.500  0.000  0.500  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.000  0.500  0.000  1.0
  Ge  Ge6  1  0.000  0.250  0.372  1.0
  Ge  Ge7  1  0.000  0.750  0.628  1.0
  Ge  Ge8  1  0.500  0.750  0.194  1.0
  Ge  Ge9  1  0.500  0.250  0.806  1.0
[/CIF]
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The material described by CuFe2Ge2 crystallizes in the orthorhombic Pmma space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 9-coordinate geometry to two equivalent Fe(2), four equivalent Cu(1), two equivalent Ge(1), and three equivalent Ge(2) atoms. In the second Fe site, Fe(2) is bonded in a 10-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), two equivalent Ge(2), and four equivalent Ge(1) atoms. Cu(1) is bonded to four equivalent Fe(1), two equivalent Cu(1), two equivalent Ge(1), and four equivalent Ge(2) atoms to form a mixture of face, corner, and edge-sharing CuFe4Cu2Ge6 cuboctahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 6-coordinate geometry to two equivalent Fe(1), four equivalent Fe(2), and two equivalent Cu(1) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Fe(2), three equivalent Fe(1), and four equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Fe2CuGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.926
_cell_length_b   4.944
_cell_length_c   6.875
_cell_angle_alpha   90.002
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   133.427
_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
  Fe  Fe0  1  0.500  0.250  0.153  1.0
  Fe  Fe1  1  0.500  0.750  0.847  1.0
  Fe  Fe2  1  0.500  0.500  0.500  1.0
  Fe  Fe3  1  0.500  0.000  0.500  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.000  0.500  0.000  1.0
  Ge  Ge6  1  0.000  0.250  0.372  1.0
  Ge  Ge7  1  0.000  0.750  0.628  1.0
  Ge  Ge8  1  0.500  0.750  0.194  1.0
  Ge  Ge9  1  0.500  0.250  0.806  1.0
[/CIF]
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