The structure described by ScCuGe crystallizes in the hexagonal P-62m space group. Sc(1) is bonded in a 11-coordinate geometry to six equivalent Cu(1), one Ge(2), and four equivalent Ge(1) atoms. Cu(1) is bonded to six equivalent Sc(1), two equivalent Cu(1), two equivalent Ge(1), and two equivalent Ge(2) atoms to form a mixture of distorted edge, corner, and face-sharing CuSc6Cu2Ge4 cuboctahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(2) is bonded in a 9-coordinate geometry to three equivalent Sc(1) and six equivalent Cu(1) atoms. In the second Ge site, Ge(1) is bonded in a 9-coordinate geometry to six equivalent Sc(1) and three equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_ScCuGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.499
_cell_length_b   6.499
_cell_length_c   3.967
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   145.089
_cell_formula_units_Z   3
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
  Sc  Sc0  1  0.428  0.428  0.000  1.0
  Sc  Sc1  1  0.572  0.000  0.000  1.0
  Sc  Sc2  1  0.000  0.572  0.000  1.0
  Cu  Cu3  1  0.757  0.757  0.500  1.0
  Cu  Cu4  1  0.243  0.000  0.500  1.0
  Cu  Cu5  1  0.000  0.243  0.500  1.0
  Ge  Ge6  1  0.333  0.667  0.500  1.0
  Ge  Ge7  1  0.667  0.333  0.500  1.0
  Ge  Ge8  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by ScCuGe crystallizes in the hexagonal P-62m space group. Sc(1) is bonded in a 11-coordinate geometry to six equivalent Cu(1), one Ge(2), and four equivalent Ge(1) atoms. Cu(1) is bonded to six equivalent Sc(1), two equivalent Cu(1), two equivalent Ge(1), and two equivalent Ge(2) atoms to form a mixture of distorted edge, corner, and face-sharing CuSc6Cu2Ge4 cuboctahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(2) is bonded in a 9-coordinate geometry to three equivalent Sc(1) and six equivalent Cu(1) atoms. In the second Ge site, Ge(1) is bonded in a 9-coordinate geometry to six equivalent Sc(1) and three equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_ScCuGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.499
_cell_length_b   6.499
_cell_length_c   3.967
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   145.089
_cell_formula_units_Z   3
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
  Sc  Sc0  1  0.428  0.428  0.000  1.0
  Sc  Sc1  1  0.572  0.000  0.000  1.0
  Sc  Sc2  1  0.000  0.572  0.000  1.0
  Cu  Cu3  1  0.757  0.757  0.500  1.0
  Cu  Cu4  1  0.243  0.000  0.500  1.0
  Cu  Cu5  1  0.000  0.243  0.500  1.0
  Ge  Ge6  1  0.333  0.667  0.500  1.0
  Ge  Ge7  1  0.667  0.333  0.500  1.0
  Ge  Ge8  1  0.000  0.000  0.000  1.0
[/CIF]
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