The compound described by Sc3(CuGe)4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent Ge(1) and four equivalent Ge(2) atoms to form edge-sharing ScGe6 octahedra. In the second Sc site, Sc(2) is bonded in a 12-coordinate geometry to six equivalent Cu(1), two equivalent Ge(1), and four equivalent Ge(2) atoms. Cu(1) is bonded in a 8-coordinate geometry to three equivalent Sc(2), one Cu(1), one Ge(2), and three equivalent Ge(1) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to one Sc(1), two equivalent Sc(2), and six equivalent Cu(1) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Sc(1), four equivalent Sc(2), two equivalent Cu(1), and one Ge(2) atom. is represented by the CIF card [CIF]
data_Sc3(CuGe)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.041
_cell_length_b   6.537
_cell_length_c   7.718
_cell_angle_alpha   115.052
_cell_angle_beta   105.176
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   176.821
_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
  Sc  Sc0  1  0.000  0.500  0.000  1.0
  Sc  Sc1  1  0.873  0.873  0.746  1.0
  Sc  Sc2  1  0.127  0.127  0.254  1.0
  Cu  Cu3  1  0.672  0.478  0.344  1.0
  Cu  Cu4  1  0.672  0.866  0.344  1.0
  Cu  Cu5  1  0.328  0.134  0.656  1.0
  Cu  Cu6  1  0.328  0.522  0.656  1.0
  Ge  Ge7  1  0.784  0.284  0.568  1.0
  Ge  Ge8  1  0.216  0.716  0.432  1.0
  Ge  Ge9  1  0.500  0.807  0.000  1.0
  Ge  Ge10  1  0.500  0.193  0.000  1.0
[/CIF]
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The compound described by Sc3(CuGe)4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent Ge(1) and four equivalent Ge(2) atoms to form edge-sharing ScGe6 octahedra. In the second Sc site, Sc(2) is bonded in a 12-coordinate geometry to six equivalent Cu(1), two equivalent Ge(1), and four equivalent Ge(2) atoms. Cu(1) is bonded in a 8-coordinate geometry to three equivalent Sc(2), one Cu(1), one Ge(2), and three equivalent Ge(1) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to one Sc(1), two equivalent Sc(2), and six equivalent Cu(1) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Sc(1), four equivalent Sc(2), two equivalent Cu(1), and one Ge(2) atom. is represented by the CIF card [CIF]
data_Sc3(CuGe)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.041
_cell_length_b   6.537
_cell_length_c   7.718
_cell_angle_alpha   115.052
_cell_angle_beta   105.176
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   176.821
_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
  Sc  Sc0  1  0.000  0.500  0.000  1.0
  Sc  Sc1  1  0.873  0.873  0.746  1.0
  Sc  Sc2  1  0.127  0.127  0.254  1.0
  Cu  Cu3  1  0.672  0.478  0.344  1.0
  Cu  Cu4  1  0.672  0.866  0.344  1.0
  Cu  Cu5  1  0.328  0.134  0.656  1.0
  Cu  Cu6  1  0.328  0.522  0.656  1.0
  Ge  Ge7  1  0.784  0.284  0.568  1.0
  Ge  Ge8  1  0.216  0.716  0.432  1.0
  Ge  Ge9  1  0.500  0.807  0.000  1.0
  Ge  Ge10  1  0.500  0.193  0.000  1.0
[/CIF]
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