The compound described by SmIrSi3 crystallizes in the tetragonal I4mm space group. Sm(1) is bonded in a 17-coordinate geometry to five equivalent Ir(1), four equivalent Si(1), and eight equivalent Si(2) atoms. Ir(1) is bonded in a 5-coordinate geometry to five equivalent Sm(1), one Si(1), and four equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted single-bond geometry to four equivalent Sm(1), one Ir(1), and four equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a distorted bent 120 degrees geometry to four equivalent Sm(1), two equivalent Ir(1), and two equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_SmSi3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.219
_cell_length_b   4.219
_cell_length_c   5.738
_cell_angle_alpha   111.570
_cell_angle_beta   111.570
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   87.236
_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
  Sm  Sm0  1  0.998  0.998  0.996  1.0
  Si  Si1  1  0.414  0.414  0.829  1.0
  Si  Si2  1  0.764  0.264  0.528  1.0
  Si  Si3  1  0.264  0.764  0.528  1.0
  Ir  Ir4  1  0.654  0.654  0.307  1.0
[/CIF]
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The compound described by SmIrSi3 crystallizes in the tetragonal I4mm space group. Sm(1) is bonded in a 17-coordinate geometry to five equivalent Ir(1), four equivalent Si(1), and eight equivalent Si(2) atoms. Ir(1) is bonded in a 5-coordinate geometry to five equivalent Sm(1), one Si(1), and four equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted single-bond geometry to four equivalent Sm(1), one Ir(1), and four equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a distorted bent 120 degrees geometry to four equivalent Sm(1), two equivalent Ir(1), and two equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_SmSi3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.219
_cell_length_b   4.219
_cell_length_c   5.738
_cell_angle_alpha   111.570
_cell_angle_beta   111.570
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   87.236
_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
  Sm  Sm0  1  0.998  0.998  0.996  1.0
  Si  Si1  1  0.414  0.414  0.829  1.0
  Si  Si2  1  0.764  0.264  0.528  1.0
  Si  Si3  1  0.264  0.764  0.528  1.0
  Ir  Ir4  1  0.654  0.654  0.307  1.0
[/CIF]
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