The material structure described by Sm(FeAl3)3 crystallizes in the monoclinic C2/m space group. Sm(1) is bonded in a 20-coordinate geometry to two equivalent Fe(1), four equivalent Fe(2), two equivalent Al(3), four equivalent Al(2), and eight equivalent Al(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 10-coordinate geometry to two equivalent Sm(1), two equivalent Al(3), four equivalent Al(1), and four equivalent Al(2) atoms. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to two equivalent Sm(1), two equivalent Fe(2), four equivalent Al(1), and four equivalent Al(2) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 12-coordinate geometry to two equivalent Sm(1), one Fe(1), two equivalent Fe(2), one Al(3), two equivalent Al(1), and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to one Sm(1), one Fe(1), two equivalent Fe(2), one Al(2), one Al(3), and four equivalent Al(1) atoms. In the third Al site, Al(3) is bonded in a distorted linear geometry to two equivalent Sm(1), two equivalent Fe(1), four equivalent Al(1), and four equivalent Al(2) atoms. is represented by the CIF card [CIF]
data_Sm(Al3Fe)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.770
_cell_length_b   6.770
_cell_length_c   6.690
_cell_angle_alpha   82.284
_cell_angle_beta   82.283
_cell_angle_gamma   136.313
_symmetry_Int_Tables_number   1
_cell_volume   197.499
_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  0.000  0.000  0.000  1.0
  Al  Al1  1  0.289  0.515  0.216  1.0
  Al  Al2  1  0.711  0.485  0.784  1.0
  Al  Al3  1  0.485  0.711  0.784  1.0
  Al  Al4  1  0.515  0.289  0.216  1.0
  Al  Al5  1  0.355  0.999  0.661  1.0
  Al  Al6  1  0.645  0.001  0.339  1.0
  Al  Al7  1  0.001  0.645  0.339  1.0
  Al  Al8  1  0.999  0.355  0.661  1.0
  Al  Al9  1  0.000  0.000  0.500  1.0
  Fe  Fe10  1  0.500  0.500  0.500  1.0
  Fe  Fe11  1  0.000  0.500  0.000  1.0
  Fe  Fe12  1  0.500  0.000  0.000  1.0
[/CIF]
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The material structure described by Sm(FeAl3)3 crystallizes in the monoclinic C2/m space group. Sm(1) is bonded in a 20-coordinate geometry to two equivalent Fe(1), four equivalent Fe(2), two equivalent Al(3), four equivalent Al(2), and eight equivalent Al(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 10-coordinate geometry to two equivalent Sm(1), two equivalent Al(3), four equivalent Al(1), and four equivalent Al(2) atoms. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to two equivalent Sm(1), two equivalent Fe(2), four equivalent Al(1), and four equivalent Al(2) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 12-coordinate geometry to two equivalent Sm(1), one Fe(1), two equivalent Fe(2), one Al(3), two equivalent Al(1), and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to one Sm(1), one Fe(1), two equivalent Fe(2), one Al(2), one Al(3), and four equivalent Al(1) atoms. In the third Al site, Al(3) is bonded in a distorted linear geometry to two equivalent Sm(1), two equivalent Fe(1), four equivalent Al(1), and four equivalent Al(2) atoms. is represented by the CIF card [CIF]
data_Sm(Al3Fe)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.770
_cell_length_b   6.770
_cell_length_c   6.690
_cell_angle_alpha   82.284
_cell_angle_beta   82.283
_cell_angle_gamma   136.313
_symmetry_Int_Tables_number   1
_cell_volume   197.499
_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  0.000  0.000  0.000  1.0
  Al  Al1  1  0.289  0.515  0.216  1.0
  Al  Al2  1  0.711  0.485  0.784  1.0
  Al  Al3  1  0.485  0.711  0.784  1.0
  Al  Al4  1  0.515  0.289  0.216  1.0
  Al  Al5  1  0.355  0.999  0.661  1.0
  Al  Al6  1  0.645  0.001  0.339  1.0
  Al  Al7  1  0.001  0.645  0.339  1.0
  Al  Al8  1  0.999  0.355  0.661  1.0
  Al  Al9  1  0.000  0.000  0.500  1.0
  Fe  Fe10  1  0.500  0.500  0.500  1.0
  Fe  Fe11  1  0.000  0.500  0.000  1.0
  Fe  Fe12  1  0.500  0.000  0.000  1.0
[/CIF]
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