The compound described by SmFeSi2 crystallizes in the monoclinic P2_1/m space group. Sm(1) is bonded in a 12-coordinate geometry to three equivalent Fe(1), three equivalent Si(2), and six equivalent Si(1) atoms. Fe(1) is bonded in a 5-coordinate geometry to three 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 9-coordinate geometry to six equivalent Sm(1), one Fe(1), and two equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to three equivalent Sm(1), four equivalent Fe(1), and two equivalent Si(2) atoms. is represented by the CIF card [CIF]
data_SmFeSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.003
_cell_length_b   4.296
_cell_length_c   7.998
_cell_angle_alpha   76.172
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   133.527
_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  0.250  0.607  0.793  1.0
  Sm  Sm1  1  0.750  0.393  0.207  1.0
  Fe  Fe2  1  0.250  0.884  0.392  1.0
  Fe  Fe3  1  0.750  0.116  0.608  1.0
  Si  Si4  1  0.250  0.955  0.099  1.0
  Si  Si5  1  0.750  0.045  0.901  1.0
  Si  Si6  1  0.250  0.326  0.497  1.0
  Si  Si7  1  0.750  0.674  0.503  1.0
[/CIF]
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The compound described by SmFeSi2 crystallizes in the monoclinic P2_1/m space group. Sm(1) is bonded in a 12-coordinate geometry to three equivalent Fe(1), three equivalent Si(2), and six equivalent Si(1) atoms. Fe(1) is bonded in a 5-coordinate geometry to three 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 9-coordinate geometry to six equivalent Sm(1), one Fe(1), and two equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to three equivalent Sm(1), four equivalent Fe(1), and two equivalent Si(2) atoms. is represented by the CIF card [CIF]
data_SmFeSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.003
_cell_length_b   4.296
_cell_length_c   7.998
_cell_angle_alpha   76.172
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   133.527
_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  0.250  0.607  0.793  1.0
  Sm  Sm1  1  0.750  0.393  0.207  1.0
  Fe  Fe2  1  0.250  0.884  0.392  1.0
  Fe  Fe3  1  0.750  0.116  0.608  1.0
  Si  Si4  1  0.250  0.955  0.099  1.0
  Si  Si5  1  0.750  0.045  0.901  1.0
  Si  Si6  1  0.250  0.326  0.497  1.0
  Si  Si7  1  0.750  0.674  0.503  1.0
[/CIF]
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