The structure described by Sc2Ir5B2Si crystallizes in the tetragonal P4/mbm space group. Sc(1) is bonded in a 13-coordinate geometry to two equivalent Ir(1), eight equivalent Ir(2), and three equivalent B(1) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted body-centered cubic geometry to four equivalent Sc(1) and four equivalent B(1) atoms. In the second Ir site, Ir(2) is bonded in a 8-coordinate geometry to four equivalent Sc(1), two equivalent B(1), and two equivalent Si(1) atoms. B(1) is bonded in a 9-coordinate geometry to three equivalent Sc(1), two equivalent Ir(1), and four equivalent Ir(2) atoms. Si(1) is bonded in a body-centered cubic geometry to eight equivalent Ir(2) atoms. is represented by the CIF card [CIF]
data_Sc2SiB2Ir5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.247
_cell_length_b   9.247
_cell_length_c   3.134
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   267.966
_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
  Sc  Sc0  1  0.175  0.675  0.000  1.0
  Sc  Sc1  1  0.675  0.825  0.000  1.0
  Sc  Sc2  1  0.325  0.175  0.000  1.0
  Sc  Sc3  1  0.825  0.325  0.000  1.0
  Si  Si4  1  0.000  0.000  0.000  1.0
  Si  Si5  1  0.500  0.500  0.000  1.0
  B  B6  1  0.376  0.876  0.000  1.0
  B  B7  1  0.876  0.624  0.000  1.0
  B  B8  1  0.124  0.376  0.000  1.0
  B  B9  1  0.624  0.124  0.000  1.0
  Ir  Ir10  1  0.000  0.500  0.500  1.0
  Ir  Ir11  1  0.500  0.000  0.500  1.0
  Ir  Ir12  1  0.288  0.430  0.500  1.0
  Ir  Ir13  1  0.712  0.570  0.500  1.0
  Ir  Ir14  1  0.570  0.288  0.500  1.0
  Ir  Ir15  1  0.430  0.712  0.500  1.0
  Ir  Ir16  1  0.930  0.788  0.500  1.0
  Ir  Ir17  1  0.788  0.070  0.500  1.0
  Ir  Ir18  1  0.212  0.930  0.500  1.0
  Ir  Ir19  1  0.070  0.212  0.500  1.0
[/CIF]
.
The structure described by Sc2Ir5B2Si crystallizes in the tetragonal P4/mbm space group. Sc(1) is bonded in a 13-coordinate geometry to two equivalent Ir(1), eight equivalent Ir(2), and three equivalent B(1) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted body-centered cubic geometry to four equivalent Sc(1) and four equivalent B(1) atoms. In the second Ir site, Ir(2) is bonded in a 8-coordinate geometry to four equivalent Sc(1), two equivalent B(1), and two equivalent Si(1) atoms. B(1) is bonded in a 9-coordinate geometry to three equivalent Sc(1), two equivalent Ir(1), and four equivalent Ir(2) atoms. Si(1) is bonded in a body-centered cubic geometry to eight equivalent Ir(2) atoms. is represented by the CIF card [CIF]
data_Sc2SiB2Ir5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.247
_cell_length_b   9.247
_cell_length_c   3.134
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   267.966
_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
  Sc  Sc0  1  0.175  0.675  0.000  1.0
  Sc  Sc1  1  0.675  0.825  0.000  1.0
  Sc  Sc2  1  0.325  0.175  0.000  1.0
  Sc  Sc3  1  0.825  0.325  0.000  1.0
  Si  Si4  1  0.000  0.000  0.000  1.0
  Si  Si5  1  0.500  0.500  0.000  1.0
  B  B6  1  0.376  0.876  0.000  1.0
  B  B7  1  0.876  0.624  0.000  1.0
  B  B8  1  0.124  0.376  0.000  1.0
  B  B9  1  0.624  0.124  0.000  1.0
  Ir  Ir10  1  0.000  0.500  0.500  1.0
  Ir  Ir11  1  0.500  0.000  0.500  1.0
  Ir  Ir12  1  0.288  0.430  0.500  1.0
  Ir  Ir13  1  0.712  0.570  0.500  1.0
  Ir  Ir14  1  0.570  0.288  0.500  1.0
  Ir  Ir15  1  0.430  0.712  0.500  1.0
  Ir  Ir16  1  0.930  0.788  0.500  1.0
  Ir  Ir17  1  0.788  0.070  0.500  1.0
  Ir  Ir18  1  0.212  0.930  0.500  1.0
  Ir  Ir19  1  0.070  0.212  0.500  1.0
[/CIF]
.