The compound described by Tm5(Ir2Si5)2 crystallizes in the tetragonal P4/mbm space group. There are three inequivalent Tm sites. In the first Tm site, Tm(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 Tm site, Tm(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 TmSi8Ir4 cuboctahedra. In the third Tm site, Tm(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 Tm(1), two equivalent Tm(2), two equivalent Tm(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 Tm(2), four equivalent Tm(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 Tm(1), two equivalent Tm(2), two equivalent Tm(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 Tm(2), one Tm(3), two equivalent Tm(1), two equivalent Ir(1), and two equivalent Si(3) atoms. is represented by the CIF card [CIF]
data_Tm5(Si5Ir2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.527
_cell_length_b   12.527
_cell_length_c   4.210
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   660.578
_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
  Tm  Tm0  1  0.500  0.500  1.000  1.0
  Tm  Tm1  1  0.000  0.000  0.000  1.0
  Tm  Tm2  1  0.674  0.174  0.500  1.0
  Tm  Tm3  1  0.326  0.826  0.500  1.0
  Tm  Tm4  1  0.174  0.326  0.500  1.0
  Tm  Tm5  1  0.826  0.674  0.500  1.0
  Tm  Tm6  1  0.885  0.385  0.500  1.0
  Tm  Tm7  1  0.115  0.615  0.500  1.0
  Tm  Tm8  1  0.385  0.115  0.500  1.0
  Tm  Tm9  1  0.615  0.885  0.500  1.0
  Si  Si10  1  0.566  0.066  0.000  1.0
  Si  Si11  1  0.434  0.934  0.000  1.0
  Si  Si12  1  0.066  0.434  0.000  1.0
  Si  Si13  1  0.934  0.566  1.000  1.0
  Si  Si14  1  0.665  0.701  0.000  1.0
  Si  Si15  1  0.335  0.299  0.000  1.0
  Si  Si16  1  0.165  0.799  1.000  1.0
  Si  Si17  1  0.835  0.201  1.000  1.0
  Si  Si18  1  0.299  0.665  0.000  1.0
  Si  Si19  1  0.701  0.335  0.000  1.0
  Si  Si20  1  0.201  0.165  1.000  1.0
  Si  Si21  1  0.799  0.835  0.000  1.0
  Si  Si22  1  0.656  0.503  0.500  1.0
  Si  Si23  1  0.344  0.497  0.500  1.0
  Si  Si24  1  0.156  0.997  0.500  1.0
  Si  Si25  1  0.844  0.003  0.500  1.0
  Si  Si26  1  0.497  0.656  0.500  1.0
  Si  Si27  1  0.503  0.344  0.500  1.0
  Si  Si28  1  0.003  0.156  0.500  1.0
  Si  Si29  1  0.997  0.844  0.500  1.0
  Ir  Ir30  1  0.745  0.520  1.000  1.0
  Ir  Ir31  1  0.255  0.480  0.000  1.0
  Ir  Ir32  1  0.245  0.980  1.000  1.0
  Ir  Ir33  1  0.755  0.020  0.000  1.0
  Ir  Ir34  1  0.480  0.745  1.000  1.0
  Ir  Ir35  1  0.520  0.255  1.000  1.0
  Ir  Ir36  1  0.020  0.245  1.000  1.0
  Ir  Ir37  1  0.980  0.755  0.000  1.0
[/CIF]
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The compound described by Tm5(Ir2Si5)2 crystallizes in the tetragonal P4/mbm space group. There are three inequivalent Tm sites. In the first Tm site, Tm(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 Tm site, Tm(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 TmSi8Ir4 cuboctahedra. In the third Tm site, Tm(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 Tm(1), two equivalent Tm(2), two equivalent Tm(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 Tm(2), four equivalent Tm(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 Tm(1), two equivalent Tm(2), two equivalent Tm(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 Tm(2), one Tm(3), two equivalent Tm(1), two equivalent Ir(1), and two equivalent Si(3) atoms. is represented by the CIF card [CIF]
data_Tm5(Si5Ir2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.527
_cell_length_b   12.527
_cell_length_c   4.210
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   660.578
_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
  Tm  Tm0  1  0.500  0.500  1.000  1.0
  Tm  Tm1  1  0.000  0.000  0.000  1.0
  Tm  Tm2  1  0.674  0.174  0.500  1.0
  Tm  Tm3  1  0.326  0.826  0.500  1.0
  Tm  Tm4  1  0.174  0.326  0.500  1.0
  Tm  Tm5  1  0.826  0.674  0.500  1.0
  Tm  Tm6  1  0.885  0.385  0.500  1.0
  Tm  Tm7  1  0.115  0.615  0.500  1.0
  Tm  Tm8  1  0.385  0.115  0.500  1.0
  Tm  Tm9  1  0.615  0.885  0.500  1.0
  Si  Si10  1  0.566  0.066  0.000  1.0
  Si  Si11  1  0.434  0.934  0.000  1.0
  Si  Si12  1  0.066  0.434  0.000  1.0
  Si  Si13  1  0.934  0.566  1.000  1.0
  Si  Si14  1  0.665  0.701  0.000  1.0
  Si  Si15  1  0.335  0.299  0.000  1.0
  Si  Si16  1  0.165  0.799  1.000  1.0
  Si  Si17  1  0.835  0.201  1.000  1.0
  Si  Si18  1  0.299  0.665  0.000  1.0
  Si  Si19  1  0.701  0.335  0.000  1.0
  Si  Si20  1  0.201  0.165  1.000  1.0
  Si  Si21  1  0.799  0.835  0.000  1.0
  Si  Si22  1  0.656  0.503  0.500  1.0
  Si  Si23  1  0.344  0.497  0.500  1.0
  Si  Si24  1  0.156  0.997  0.500  1.0
  Si  Si25  1  0.844  0.003  0.500  1.0
  Si  Si26  1  0.497  0.656  0.500  1.0
  Si  Si27  1  0.503  0.344  0.500  1.0
  Si  Si28  1  0.003  0.156  0.500  1.0
  Si  Si29  1  0.997  0.844  0.500  1.0
  Ir  Ir30  1  0.745  0.520  1.000  1.0
  Ir  Ir31  1  0.255  0.480  0.000  1.0
  Ir  Ir32  1  0.245  0.980  1.000  1.0
  Ir  Ir33  1  0.755  0.020  0.000  1.0
  Ir  Ir34  1  0.480  0.745  1.000  1.0
  Ir  Ir35  1  0.520  0.255  1.000  1.0
  Ir  Ir36  1  0.020  0.245  1.000  1.0
  Ir  Ir37  1  0.980  0.755  0.000  1.0
[/CIF]
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