The material structure described by Sc6Ir7Al16 crystallizes in the cubic Fm-3m space group. Sc(1) is bonded in a 12-coordinate geometry to four equivalent Ir(2), four equivalent Al(1), and four equivalent Al(2) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(2) is bonded to four equivalent Sc(1), four equivalent Al(1), and four equivalent Al(2) atoms to form a mixture of distorted face and corner-sharing IrSc4Al8 cuboctahedra. In the second Ir site, Ir(1) is bonded in a body-centered cubic geometry to eight equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(2) is bonded in a 4-coordinate geometry to three equivalent Sc(1), one Ir(1), and three equivalent Ir(2) atoms. In the second Al site, Al(1) is bonded in a distorted trigonal planar geometry to three equivalent Sc(1) and three equivalent Ir(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc6Al16Ir7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.706
_cell_length_b   8.706
_cell_length_c   8.706
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   466.526
_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  0.208  0.792  0.792  1.0
  Sc  Sc1  1  0.792  0.208  0.208  1.0
  Sc  Sc2  1  0.792  0.208  0.792  1.0
  Sc  Sc3  1  0.792  0.792  0.208  1.0
  Sc  Sc4  1  0.208  0.792  0.208  1.0
  Sc  Sc5  1  0.208  0.208  0.792  1.0
  Al  Al6  1  0.833  0.833  0.833  1.0
  Al  Al7  1  0.833  0.833  0.501  1.0
  Al  Al8  1  0.501  0.833  0.833  1.0
  Al  Al9  1  0.833  0.501  0.833  1.0
  Al  Al10  1  0.167  0.167  0.167  1.0
  Al  Al11  1  0.167  0.167  0.499  1.0
  Al  Al12  1  0.167  0.499  0.167  1.0
  Al  Al13  1  0.499  0.167  0.167  1.0
  Al  Al14  1  0.620  0.620  0.620  1.0
  Al  Al15  1  0.620  0.620  0.140  1.0
  Al  Al16  1  0.140  0.620  0.620  1.0
  Al  Al17  1  0.620  0.140  0.620  1.0
  Al  Al18  1  0.380  0.380  0.380  1.0
  Al  Al19  1  0.380  0.380  0.860  1.0
  Al  Al20  1  0.380  0.860  0.380  1.0
  Al  Al21  1  0.860  0.380  0.380  1.0
  Ir  Ir22  1  0.500  0.500  0.500  1.0
  Ir  Ir23  1  1.000  0.500  0.500  1.0
  Ir  Ir24  1  0.500  0.000  1.000  1.0
  Ir  Ir25  1  0.500  0.000  0.500  1.0
  Ir  Ir26  1  0.500  0.500  1.000  1.0
  Ir  Ir27  1  1.000  0.500  0.000  1.0
  Ir  Ir28  1  1.000  0.000  0.500  1.0
[/CIF]
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The material structure described by Sc6Ir7Al16 crystallizes in the cubic Fm-3m space group. Sc(1) is bonded in a 12-coordinate geometry to four equivalent Ir(2), four equivalent Al(1), and four equivalent Al(2) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(2) is bonded to four equivalent Sc(1), four equivalent Al(1), and four equivalent Al(2) atoms to form a mixture of distorted face and corner-sharing IrSc4Al8 cuboctahedra. In the second Ir site, Ir(1) is bonded in a body-centered cubic geometry to eight equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(2) is bonded in a 4-coordinate geometry to three equivalent Sc(1), one Ir(1), and three equivalent Ir(2) atoms. In the second Al site, Al(1) is bonded in a distorted trigonal planar geometry to three equivalent Sc(1) and three equivalent Ir(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc6Al16Ir7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.706
_cell_length_b   8.706
_cell_length_c   8.706
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   466.526
_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  0.208  0.792  0.792  1.0
  Sc  Sc1  1  0.792  0.208  0.208  1.0
  Sc  Sc2  1  0.792  0.208  0.792  1.0
  Sc  Sc3  1  0.792  0.792  0.208  1.0
  Sc  Sc4  1  0.208  0.792  0.208  1.0
  Sc  Sc5  1  0.208  0.208  0.792  1.0
  Al  Al6  1  0.833  0.833  0.833  1.0
  Al  Al7  1  0.833  0.833  0.501  1.0
  Al  Al8  1  0.501  0.833  0.833  1.0
  Al  Al9  1  0.833  0.501  0.833  1.0
  Al  Al10  1  0.167  0.167  0.167  1.0
  Al  Al11  1  0.167  0.167  0.499  1.0
  Al  Al12  1  0.167  0.499  0.167  1.0
  Al  Al13  1  0.499  0.167  0.167  1.0
  Al  Al14  1  0.620  0.620  0.620  1.0
  Al  Al15  1  0.620  0.620  0.140  1.0
  Al  Al16  1  0.140  0.620  0.620  1.0
  Al  Al17  1  0.620  0.140  0.620  1.0
  Al  Al18  1  0.380  0.380  0.380  1.0
  Al  Al19  1  0.380  0.380  0.860  1.0
  Al  Al20  1  0.380  0.860  0.380  1.0
  Al  Al21  1  0.860  0.380  0.380  1.0
  Ir  Ir22  1  0.500  0.500  0.500  1.0
  Ir  Ir23  1  1.000  0.500  0.500  1.0
  Ir  Ir24  1  0.500  0.000  1.000  1.0
  Ir  Ir25  1  0.500  0.000  0.500  1.0
  Ir  Ir26  1  0.500  0.500  1.000  1.0
  Ir  Ir27  1  1.000  0.500  0.000  1.0
  Ir  Ir28  1  1.000  0.000  0.500  1.0
[/CIF]
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