The crystal structure described by Sc4Ir7Si6 crystallizes in the cubic Im-3m space group. Sc(1) is bonded to six equivalent Ir(1) and six equivalent Si(1) atoms to form ScSi6Ir6 cuboctahedra that share corners with twelve equivalent Sc(1)Si6Ir6 cuboctahedra, faces with six equivalent Sc(1)Si6Ir6 cuboctahedra, and faces with two equivalent Ir(2)Si6 octahedra. There are two inequivalent Ir sites. In the first Ir site, Ir(2) is bonded to six equivalent Si(1) atoms to form IrSi6 octahedra that share faces with eight equivalent Sc(1)Si6Ir6 cuboctahedra. In the second Ir site, Ir(1) is bonded in a 8-coordinate geometry to four equivalent Sc(1) and four equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to four equivalent Sc(1), one Ir(2), and four equivalent Ir(1) atoms. is represented by the CIF card [CIF]
data_Sc4Si6Ir7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.958
_cell_length_b   6.958
_cell_length_c   6.958
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   259.292
_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  0.000  0.500  1.0
  Sc  Sc1  1  0.000  0.500  0.000  1.0
  Sc  Sc2  1  0.500  0.000  0.000  1.0
  Sc  Sc3  1  0.500  0.500  0.500  1.0
  Si  Si4  1  0.682  0.682  0.000  1.0
  Si  Si5  1  0.318  0.000  0.318  1.0
  Si  Si6  1  0.000  0.318  0.318  1.0
  Si  Si7  1  0.318  0.318  0.000  1.0
  Si  Si8  1  0.682  0.000  0.682  1.0
  Si  Si9  1  0.000  0.682  0.682  1.0
  Ir  Ir10  1  0.750  0.250  0.500  1.0
  Ir  Ir11  1  0.750  0.500  0.250  1.0
  Ir  Ir12  1  0.500  0.250  0.750  1.0
  Ir  Ir13  1  0.250  0.500  0.750  1.0
  Ir  Ir14  1  0.250  0.750  0.500  1.0
  Ir  Ir15  1  0.500  0.750  0.250  1.0
  Ir  Ir16  1  0.000  0.000  0.000  1.0
[/CIF]
.
The crystal structure described by Sc4Ir7Si6 crystallizes in the cubic Im-3m space group. Sc(1) is bonded to six equivalent Ir(1) and six equivalent Si(1) atoms to form ScSi6Ir6 cuboctahedra that share corners with twelve equivalent Sc(1)Si6Ir6 cuboctahedra, faces with six equivalent Sc(1)Si6Ir6 cuboctahedra, and faces with two equivalent Ir(2)Si6 octahedra. There are two inequivalent Ir sites. In the first Ir site, Ir(2) is bonded to six equivalent Si(1) atoms to form IrSi6 octahedra that share faces with eight equivalent Sc(1)Si6Ir6 cuboctahedra. In the second Ir site, Ir(1) is bonded in a 8-coordinate geometry to four equivalent Sc(1) and four equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to four equivalent Sc(1), one Ir(2), and four equivalent Ir(1) atoms. is represented by the CIF card [CIF]
data_Sc4Si6Ir7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.958
_cell_length_b   6.958
_cell_length_c   6.958
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   259.292
_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  0.000  0.500  1.0
  Sc  Sc1  1  0.000  0.500  0.000  1.0
  Sc  Sc2  1  0.500  0.000  0.000  1.0
  Sc  Sc3  1  0.500  0.500  0.500  1.0
  Si  Si4  1  0.682  0.682  0.000  1.0
  Si  Si5  1  0.318  0.000  0.318  1.0
  Si  Si6  1  0.000  0.318  0.318  1.0
  Si  Si7  1  0.318  0.318  0.000  1.0
  Si  Si8  1  0.682  0.000  0.682  1.0
  Si  Si9  1  0.000  0.682  0.682  1.0
  Ir  Ir10  1  0.750  0.250  0.500  1.0
  Ir  Ir11  1  0.750  0.500  0.250  1.0
  Ir  Ir12  1  0.500  0.250  0.750  1.0
  Ir  Ir13  1  0.250  0.500  0.750  1.0
  Ir  Ir14  1  0.250  0.750  0.500  1.0
  Ir  Ir15  1  0.500  0.750  0.250  1.0
  Ir  Ir16  1  0.000  0.000  0.000  1.0
[/CIF]
.