The material structure described by Sc5Ir4Si10 crystallizes in the tetragonal P4/mbm space group. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 14-coordinate geometry to four equivalent Ir(1), two equivalent Si(3), four equivalent Si(1), and four equivalent Si(2) atoms. In the second Sc site, Sc(2) is bonded to four equivalent Ir(1), two equivalent Si(1), two equivalent Si(3), and four equivalent Si(2) atoms to form face-sharing ScSi8Ir4 cuboctahedra. In the third Sc site, Sc(3) is bonded in a 16-coordinate geometry to four equivalent Ir(1), four equivalent Si(2), and eight equivalent Si(3) atoms. Ir(1) is bonded in a 10-coordinate geometry to one Sc(3), two equivalent Sc(1), two equivalent Sc(2), one Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Sc(2), four equivalent Sc(1), two equivalent Ir(1), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 2-coordinate geometry to one Sc(3), two equivalent Sc(1), two equivalent Sc(2), and two equivalent Ir(1) atoms. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to one Sc(1), one Sc(2), two equivalent Sc(3), two equivalent Ir(1), and two equivalent Si(3) atoms. is represented by the CIF file [CIF]
data_Sc5(Si5Ir2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.352
_cell_length_b   12.352
_cell_length_c   4.093
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   624.477
_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  0.116  0.616  0.500  1.0
  Sc  Sc1  1  0.884  0.384  0.500  1.0
  Sc  Sc2  1  0.616  0.884  0.500  1.0
  Sc  Sc3  1  0.384  0.116  0.500  1.0
  Sc  Sc4  1  0.673  0.173  0.500  1.0
  Sc  Sc5  1  0.327  0.827  0.500  1.0
  Sc  Sc6  1  0.173  0.327  0.500  1.0
  Sc  Sc7  1  0.827  0.673  0.500  1.0
  Sc  Sc8  1  0.000  1.000  0.000  1.0
  Sc  Sc9  1  0.500  0.500  0.000  1.0
  Si  Si10  1  0.566  0.066  1.000  1.0
  Si  Si11  1  0.434  0.934  0.000  1.0
  Si  Si12  1  0.066  0.434  1.000  1.0
  Si  Si13  1  0.934  0.566  1.000  1.0
  Si  Si14  1  0.200  0.166  1.000  1.0
  Si  Si15  1  0.800  0.834  1.000  1.0
  Si  Si16  1  0.166  0.800  0.000  1.0
  Si  Si17  1  0.700  0.334  1.000  1.0
  Si  Si18  1  0.834  0.200  1.000  1.0
  Si  Si19  1  0.300  0.666  0.000  1.0
  Si  Si20  1  0.666  0.700  1.000  1.0
  Si  Si21  1  0.334  0.300  1.000  1.0
  Si  Si22  1  0.006  0.152  0.500  1.0
  Si  Si23  1  0.994  0.848  0.500  1.0
  Si  Si24  1  0.152  0.994  0.500  1.0
  Si  Si25  1  0.506  0.348  0.500  1.0
  Si  Si26  1  0.848  0.006  0.500  1.0
  Si  Si27  1  0.494  0.652  0.500  1.0
  Si  Si28  1  0.652  0.506  0.500  1.0
  Si  Si29  1  0.348  0.494  0.500  1.0
  Ir  Ir30  1  0.019  0.246  1.000  1.0
  Ir  Ir31  1  0.981  0.754  1.000  1.0
  Ir  Ir32  1  0.246  0.981  0.000  1.0
  Ir  Ir33  1  0.519  0.254  1.000  1.0
  Ir  Ir34  1  0.754  0.019  1.000  1.0
  Ir  Ir35  1  0.481  0.746  0.000  1.0
  Ir  Ir36  1  0.746  0.519  0.000  1.0
  Ir  Ir37  1  0.254  0.481  1.000  1.0
[/CIF]
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The material structure described by Sc5Ir4Si10 crystallizes in the tetragonal P4/mbm space group. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 14-coordinate geometry to four equivalent Ir(1), two equivalent Si(3), four equivalent Si(1), and four equivalent Si(2) atoms. In the second Sc site, Sc(2) is bonded to four equivalent Ir(1), two equivalent Si(1), two equivalent Si(3), and four equivalent Si(2) atoms to form face-sharing ScSi8Ir4 cuboctahedra. In the third Sc site, Sc(3) is bonded in a 16-coordinate geometry to four equivalent Ir(1), four equivalent Si(2), and eight equivalent Si(3) atoms. Ir(1) is bonded in a 10-coordinate geometry to one Sc(3), two equivalent Sc(1), two equivalent Sc(2), one Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Sc(2), four equivalent Sc(1), two equivalent Ir(1), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 2-coordinate geometry to one Sc(3), two equivalent Sc(1), two equivalent Sc(2), and two equivalent Ir(1) atoms. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to one Sc(1), one Sc(2), two equivalent Sc(3), two equivalent Ir(1), and two equivalent Si(3) atoms. is represented by the CIF file [CIF]
data_Sc5(Si5Ir2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.352
_cell_length_b   12.352
_cell_length_c   4.093
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   624.477
_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  0.116  0.616  0.500  1.0
  Sc  Sc1  1  0.884  0.384  0.500  1.0
  Sc  Sc2  1  0.616  0.884  0.500  1.0
  Sc  Sc3  1  0.384  0.116  0.500  1.0
  Sc  Sc4  1  0.673  0.173  0.500  1.0
  Sc  Sc5  1  0.327  0.827  0.500  1.0
  Sc  Sc6  1  0.173  0.327  0.500  1.0
  Sc  Sc7  1  0.827  0.673  0.500  1.0
  Sc  Sc8  1  0.000  1.000  0.000  1.0
  Sc  Sc9  1  0.500  0.500  0.000  1.0
  Si  Si10  1  0.566  0.066  1.000  1.0
  Si  Si11  1  0.434  0.934  0.000  1.0
  Si  Si12  1  0.066  0.434  1.000  1.0
  Si  Si13  1  0.934  0.566  1.000  1.0
  Si  Si14  1  0.200  0.166  1.000  1.0
  Si  Si15  1  0.800  0.834  1.000  1.0
  Si  Si16  1  0.166  0.800  0.000  1.0
  Si  Si17  1  0.700  0.334  1.000  1.0
  Si  Si18  1  0.834  0.200  1.000  1.0
  Si  Si19  1  0.300  0.666  0.000  1.0
  Si  Si20  1  0.666  0.700  1.000  1.0
  Si  Si21  1  0.334  0.300  1.000  1.0
  Si  Si22  1  0.006  0.152  0.500  1.0
  Si  Si23  1  0.994  0.848  0.500  1.0
  Si  Si24  1  0.152  0.994  0.500  1.0
  Si  Si25  1  0.506  0.348  0.500  1.0
  Si  Si26  1  0.848  0.006  0.500  1.0
  Si  Si27  1  0.494  0.652  0.500  1.0
  Si  Si28  1  0.652  0.506  0.500  1.0
  Si  Si29  1  0.348  0.494  0.500  1.0
  Ir  Ir30  1  0.019  0.246  1.000  1.0
  Ir  Ir31  1  0.981  0.754  1.000  1.0
  Ir  Ir32  1  0.246  0.981  0.000  1.0
  Ir  Ir33  1  0.519  0.254  1.000  1.0
  Ir  Ir34  1  0.754  0.019  1.000  1.0
  Ir  Ir35  1  0.481  0.746  0.000  1.0
  Ir  Ir36  1  0.746  0.519  0.000  1.0
  Ir  Ir37  1  0.254  0.481  1.000  1.0
[/CIF]
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