The material described by Sm3Ir2Si2 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 9-coordinate geometry to two equivalent Ir(1), three equivalent Ir(2), and four equivalent Si(1) atoms. In the second Sm site, Sm(2) is bonded in a 9-coordinate geometry to two equivalent Ir(2), three equivalent Ir(1), and four equivalent Si(1) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 9-coordinate geometry to three equivalent Sm(2), four equivalent Sm(1), and two equivalent Si(1) atoms. In the second Ir site, Ir(2) is bonded in a 12-coordinate geometry to two equivalent Sm(2), six equivalent Sm(1), and four equivalent Si(1) atoms. Si(1) is bonded in a 10-coordinate geometry to two equivalent Sm(2), four equivalent Sm(1), one Ir(1), two equivalent Ir(2), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm3(SiIr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.124
_cell_length_b   5.695
_cell_length_c   13.338
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.229
_symmetry_Int_Tables_number   1
_cell_volume   292.037
_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
  Sm  Sm0  1  0.229  0.457  0.604  1.0
  Sm  Sm1  1  0.481  0.961  0.250  1.0
  Sm  Sm2  1  0.771  0.543  0.396  1.0
  Sm  Sm3  1  0.229  0.457  0.896  1.0
  Sm  Sm4  1  0.519  0.039  0.750  1.0
  Sm  Sm5  1  0.771  0.543  0.104  1.0
  Si  Si6  1  0.940  0.881  0.588  1.0
  Si  Si7  1  0.940  0.881  0.912  1.0
  Si  Si8  1  0.060  0.119  0.412  1.0
  Si  Si9  1  0.060  0.119  0.088  1.0
  Ir  Ir10  1  0.182  0.363  0.250  1.0
  Ir  Ir11  1  0.818  0.637  0.750  1.0
  Ir  Ir12  1  0.500  0.000  0.000  1.0
  Ir  Ir13  1  0.500  0.000  0.500  1.0
[/CIF]
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The material described by Sm3Ir2Si2 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 9-coordinate geometry to two equivalent Ir(1), three equivalent Ir(2), and four equivalent Si(1) atoms. In the second Sm site, Sm(2) is bonded in a 9-coordinate geometry to two equivalent Ir(2), three equivalent Ir(1), and four equivalent Si(1) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 9-coordinate geometry to three equivalent Sm(2), four equivalent Sm(1), and two equivalent Si(1) atoms. In the second Ir site, Ir(2) is bonded in a 12-coordinate geometry to two equivalent Sm(2), six equivalent Sm(1), and four equivalent Si(1) atoms. Si(1) is bonded in a 10-coordinate geometry to two equivalent Sm(2), four equivalent Sm(1), one Ir(1), two equivalent Ir(2), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm3(SiIr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.124
_cell_length_b   5.695
_cell_length_c   13.338
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.229
_symmetry_Int_Tables_number   1
_cell_volume   292.037
_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
  Sm  Sm0  1  0.229  0.457  0.604  1.0
  Sm  Sm1  1  0.481  0.961  0.250  1.0
  Sm  Sm2  1  0.771  0.543  0.396  1.0
  Sm  Sm3  1  0.229  0.457  0.896  1.0
  Sm  Sm4  1  0.519  0.039  0.750  1.0
  Sm  Sm5  1  0.771  0.543  0.104  1.0
  Si  Si6  1  0.940  0.881  0.588  1.0
  Si  Si7  1  0.940  0.881  0.912  1.0
  Si  Si8  1  0.060  0.119  0.412  1.0
  Si  Si9  1  0.060  0.119  0.088  1.0
  Ir  Ir10  1  0.182  0.363  0.250  1.0
  Ir  Ir11  1  0.818  0.637  0.750  1.0
  Ir  Ir12  1  0.500  0.000  0.000  1.0
  Ir  Ir13  1  0.500  0.000  0.500  1.0
[/CIF]
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