The compound described by Lu5Ir4Si10 crystallizes in the tetragonal P4/mbm space group. There are three inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 16-coordinate geometry to four equivalent Ir(1), four equivalent Si(2), and eight equivalent Si(3) atoms. In the second Lu site, Lu(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 LuSi8Ir4 cuboctahedra. In the third Lu site, Lu(3) 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. Ir(1) is bonded in a 10-coordinate geometry to one Lu(1), two equivalent Lu(2), two equivalent Lu(3), 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 Lu(2), four equivalent Lu(3), two equivalent Ir(1), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to one Lu(1), two equivalent Lu(2), two equivalent Lu(3), two equivalent Ir(1), and one Si(2) atom. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to one Lu(2), one Lu(3), two equivalent Lu(1), two equivalent Ir(1), and two equivalent Si(3) atoms. is represented by the CIF card [CIF]
data_Lu5(Si5Ir2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.490
_cell_length_b   12.490
_cell_length_c   4.182
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   652.373
_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
  Lu  Lu0  1  0.500  0.500  0.000  1.0
  Lu  Lu1  1  0.000  0.000  0.000  1.0
  Lu  Lu2  1  0.674  0.826  0.500  1.0
  Lu  Lu3  1  0.326  0.174  0.500  1.0
  Lu  Lu4  1  0.174  0.674  0.500  1.0
  Lu  Lu5  1  0.826  0.326  0.500  1.0
  Lu  Lu6  1  0.384  0.884  0.500  1.0
  Lu  Lu7  1  0.616  0.116  0.500  1.0
  Lu  Lu8  1  0.884  0.616  0.500  1.0
  Lu  Lu9  1  0.116  0.384  0.500  1.0
  Si  Si10  1  0.566  0.934  0.000  1.0
  Si  Si11  1  0.434  0.066  0.000  1.0
  Si  Si12  1  0.066  0.566  0.000  1.0
  Si  Si13  1  0.934  0.434  0.000  1.0
  Si  Si14  1  0.701  0.665  0.000  1.0
  Si  Si15  1  0.299  0.335  0.000  1.0
  Si  Si16  1  0.201  0.835  0.000  1.0
  Si  Si17  1  0.799  0.165  0.000  1.0
  Si  Si18  1  0.335  0.701  0.000  1.0
  Si  Si19  1  0.665  0.299  0.000  1.0
  Si  Si20  1  0.165  0.201  0.000  1.0
  Si  Si21  1  0.835  0.799  0.000  1.0
  Si  Si22  1  0.504  0.655  0.500  1.0
  Si  Si23  1  0.496  0.345  0.500  1.0
  Si  Si24  1  0.004  0.845  0.500  1.0
  Si  Si25  1  0.996  0.155  0.500  1.0
  Si  Si26  1  0.345  0.504  0.500  1.0
  Si  Si27  1  0.655  0.496  0.500  1.0
  Si  Si28  1  0.155  0.004  0.500  1.0
  Si  Si29  1  0.845  0.996  0.500  1.0
  Ir  Ir30  1  0.519  0.745  0.000  1.0
  Ir  Ir31  1  0.481  0.255  0.000  1.0
  Ir  Ir32  1  0.019  0.755  0.000  1.0
  Ir  Ir33  1  0.981  0.245  0.000  1.0
  Ir  Ir34  1  0.255  0.519  0.000  1.0
  Ir  Ir35  1  0.745  0.481  0.000  1.0
  Ir  Ir36  1  0.245  0.019  0.000  1.0
  Ir  Ir37  1  0.755  0.981  0.000  1.0
[/CIF]
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The compound described by Lu5Ir4Si10 crystallizes in the tetragonal P4/mbm space group. There are three inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 16-coordinate geometry to four equivalent Ir(1), four equivalent Si(2), and eight equivalent Si(3) atoms. In the second Lu site, Lu(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 LuSi8Ir4 cuboctahedra. In the third Lu site, Lu(3) 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. Ir(1) is bonded in a 10-coordinate geometry to one Lu(1), two equivalent Lu(2), two equivalent Lu(3), 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 Lu(2), four equivalent Lu(3), two equivalent Ir(1), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to one Lu(1), two equivalent Lu(2), two equivalent Lu(3), two equivalent Ir(1), and one Si(2) atom. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to one Lu(2), one Lu(3), two equivalent Lu(1), two equivalent Ir(1), and two equivalent Si(3) atoms. is represented by the CIF card [CIF]
data_Lu5(Si5Ir2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.490
_cell_length_b   12.490
_cell_length_c   4.182
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   652.373
_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
  Lu  Lu0  1  0.500  0.500  0.000  1.0
  Lu  Lu1  1  0.000  0.000  0.000  1.0
  Lu  Lu2  1  0.674  0.826  0.500  1.0
  Lu  Lu3  1  0.326  0.174  0.500  1.0
  Lu  Lu4  1  0.174  0.674  0.500  1.0
  Lu  Lu5  1  0.826  0.326  0.500  1.0
  Lu  Lu6  1  0.384  0.884  0.500  1.0
  Lu  Lu7  1  0.616  0.116  0.500  1.0
  Lu  Lu8  1  0.884  0.616  0.500  1.0
  Lu  Lu9  1  0.116  0.384  0.500  1.0
  Si  Si10  1  0.566  0.934  0.000  1.0
  Si  Si11  1  0.434  0.066  0.000  1.0
  Si  Si12  1  0.066  0.566  0.000  1.0
  Si  Si13  1  0.934  0.434  0.000  1.0
  Si  Si14  1  0.701  0.665  0.000  1.0
  Si  Si15  1  0.299  0.335  0.000  1.0
  Si  Si16  1  0.201  0.835  0.000  1.0
  Si  Si17  1  0.799  0.165  0.000  1.0
  Si  Si18  1  0.335  0.701  0.000  1.0
  Si  Si19  1  0.665  0.299  0.000  1.0
  Si  Si20  1  0.165  0.201  0.000  1.0
  Si  Si21  1  0.835  0.799  0.000  1.0
  Si  Si22  1  0.504  0.655  0.500  1.0
  Si  Si23  1  0.496  0.345  0.500  1.0
  Si  Si24  1  0.004  0.845  0.500  1.0
  Si  Si25  1  0.996  0.155  0.500  1.0
  Si  Si26  1  0.345  0.504  0.500  1.0
  Si  Si27  1  0.655  0.496  0.500  1.0
  Si  Si28  1  0.155  0.004  0.500  1.0
  Si  Si29  1  0.845  0.996  0.500  1.0
  Ir  Ir30  1  0.519  0.745  0.000  1.0
  Ir  Ir31  1  0.481  0.255  0.000  1.0
  Ir  Ir32  1  0.019  0.755  0.000  1.0
  Ir  Ir33  1  0.981  0.245  0.000  1.0
  Ir  Ir34  1  0.255  0.519  0.000  1.0
  Ir  Ir35  1  0.745  0.481  0.000  1.0
  Ir  Ir36  1  0.245  0.019  0.000  1.0
  Ir  Ir37  1  0.755  0.981  0.000  1.0
[/CIF]
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