The crystal structure described by Sc3(CuSi)4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 12-coordinate geometry to six equivalent Cu(1), two equivalent Si(1), and four equivalent Si(2) atoms. In the second Sc site, Sc(2) is bonded to eight equivalent Cu(1), two equivalent Si(1), and four equivalent Si(2) atoms to form distorted face-sharing ScCu8Si6 octahedra. Cu(1) is bonded in a 12-coordinate geometry to two equivalent Sc(2), three equivalent Sc(1), three equivalent Cu(1), one Si(2), and three equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Sc(2), two equivalent Sc(1), and six equivalent Cu(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Sc(2), four equivalent Sc(1), two equivalent Cu(1), and one Si(2) atom. is represented by the CIF file [CIF]
data_Sc3(CuSi)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.526
_cell_length_b   7.526
_cell_length_c   7.526
_cell_angle_alpha   149.629
_cell_angle_beta   129.763
_cell_angle_gamma   59.842
_symmetry_Int_Tables_number   1
_cell_volume   164.339
_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  0.374  0.874  0.500  1.0
  Sc  Sc1  1  0.626  0.126  0.500  1.0
  Sc  Sc2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.635  0.328  0.306  1.0
  Cu  Cu4  1  0.365  0.672  0.694  1.0
  Cu  Cu5  1  0.022  0.328  0.694  1.0
  Cu  Cu6  1  0.978  0.672  0.306  1.0
  Si  Si7  1  0.217  0.217  0.000  1.0
  Si  Si8  1  0.783  0.783  0.000  1.0
  Si  Si9  1  0.687  0.500  0.187  1.0
  Si  Si10  1  0.313  0.500  0.813  1.0
[/CIF]
.
The crystal structure described by Sc3(CuSi)4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 12-coordinate geometry to six equivalent Cu(1), two equivalent Si(1), and four equivalent Si(2) atoms. In the second Sc site, Sc(2) is bonded to eight equivalent Cu(1), two equivalent Si(1), and four equivalent Si(2) atoms to form distorted face-sharing ScCu8Si6 octahedra. Cu(1) is bonded in a 12-coordinate geometry to two equivalent Sc(2), three equivalent Sc(1), three equivalent Cu(1), one Si(2), and three equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Sc(2), two equivalent Sc(1), and six equivalent Cu(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Sc(2), four equivalent Sc(1), two equivalent Cu(1), and one Si(2) atom. is represented by the CIF file [CIF]
data_Sc3(CuSi)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.526
_cell_length_b   7.526
_cell_length_c   7.526
_cell_angle_alpha   149.629
_cell_angle_beta   129.763
_cell_angle_gamma   59.842
_symmetry_Int_Tables_number   1
_cell_volume   164.339
_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  0.374  0.874  0.500  1.0
  Sc  Sc1  1  0.626  0.126  0.500  1.0
  Sc  Sc2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.635  0.328  0.306  1.0
  Cu  Cu4  1  0.365  0.672  0.694  1.0
  Cu  Cu5  1  0.022  0.328  0.694  1.0
  Cu  Cu6  1  0.978  0.672  0.306  1.0
  Si  Si7  1  0.217  0.217  0.000  1.0
  Si  Si8  1  0.783  0.783  0.000  1.0
  Si  Si9  1  0.687  0.500  0.187  1.0
  Si  Si10  1  0.313  0.500  0.813  1.0
[/CIF]
.