The crystal structure described by LaFe8Si5 crystallizes in the monoclinic C2/m space group. La(1) is bonded in a 24-coordinate geometry to two equivalent Fe(5), two equivalent Fe(6), two equivalent Fe(7), four equivalent Fe(1), four equivalent Fe(2), two equivalent Si(3), four equivalent Si(1), and four equivalent Si(2) atoms. There are seven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to two equivalent La(1), one Fe(4), one Fe(5), two equivalent Si(1), and two equivalent Si(2) atoms. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to two equivalent La(1), one Fe(3), one Fe(7), one Si(3), two equivalent Si(1), and two equivalent Si(2) atoms. In the third Fe site, Fe(3) is bonded in a cuboctahedral geometry to two equivalent Fe(7), four equivalent Fe(2), two equivalent Si(3), and four equivalent Si(1) atoms. In the fourth Fe site, Fe(4) is bonded in a cuboctahedral geometry to two equivalent Fe(5), two equivalent Fe(6), four equivalent Fe(1), and four equivalent Si(2) atoms. In the fifth Fe site, Fe(5) is bonded in a 12-coordinate geometry to two equivalent La(1), one Fe(4), one Fe(6), two equivalent Fe(1), two equivalent Fe(7), two equivalent Si(1), and two equivalent Si(2) atoms. In the sixth Fe site, Fe(6) is bonded in a 2-coordinate geometry to two equivalent La(1), one Fe(4), one Fe(5), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. In the seventh Fe site, Fe(7) is bonded in a 12-coordinate geometry to two equivalent La(1), one Fe(3), two equivalent Fe(2), two equivalent Fe(5), one Si(3), two equivalent Si(1), and two equivalent Si(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 11-coordinate geometry to two equivalent La(1), one Fe(3), one Fe(5), one Fe(6), one Fe(7), two equivalent Fe(1), two equivalent Fe(2), and one Si(3) atom. In the second Si site, Si(2) is bonded in a 11-coordinate geometry to two equivalent La(1), one Fe(4), one Fe(5), one Fe(6), one Fe(7), two equivalent Fe(1), two equivalent Fe(2), and one Si(3) atom. In the third Si site, Si(3) is bonded in a 12-coordinate geometry to two equivalent La(1), one Fe(3), one Fe(7), two equivalent Fe(2), two equivalent Fe(6), two equivalent Si(1), and two equivalent Si(2) atoms. is represented by the CIF card [CIF]
data_LaFe8Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.020
_cell_length_b   8.020
_cell_length_c   7.798
_cell_angle_alpha   60.898
_cell_angle_beta   60.898
_cell_angle_gamma   92.956
_symmetry_Int_Tables_number   1
_cell_volume   354.641
_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
  La  La0  1  0.252  0.748  0.000  1.0
  La  La1  1  0.748  0.252  0.000  1.0
  Fe  Fe2  1  0.200  0.555  0.750  1.0
  Fe  Fe3  1  0.445  0.800  0.250  1.0
  Fe  Fe4  1  0.951  0.305  0.498  1.0
  Fe  Fe5  1  0.695  0.049  0.502  1.0
  Fe  Fe6  1  0.800  0.445  0.250  1.0
  Fe  Fe7  1  0.555  0.200  0.750  1.0
  Fe  Fe8  1  0.049  0.695  0.502  1.0
  Fe  Fe9  1  0.305  0.951  0.498  1.0
  Fe  Fe10  1  0.000  0.000  0.500  1.0
  Fe  Fe11  1  0.500  0.500  0.500  1.0
  Fe  Fe12  1  0.200  0.200  0.870  1.0
  Fe  Fe13  1  0.800  0.800  0.130  1.0
  Fe  Fe14  1  0.440  0.440  0.870  1.0
  Fe  Fe15  1  0.560  0.560  0.130  1.0
  Fe  Fe16  1  0.930  0.930  0.269  1.0
  Fe  Fe17  1  0.070  0.070  0.731  1.0
  Si  Si18  1  0.710  0.960  0.842  1.0
  Si  Si19  1  0.040  0.290  0.158  1.0
  Si  Si20  1  0.547  0.796  0.491  1.0
  Si  Si21  1  0.204  0.453  0.509  1.0
  Si  Si22  1  0.290  0.040  0.158  1.0
  Si  Si23  1  0.960  0.710  0.842  1.0
  Si  Si24  1  0.453  0.204  0.509  1.0
  Si  Si25  1  0.796  0.547  0.491  1.0
  Si  Si26  1  0.290  0.290  0.277  1.0
  Si  Si27  1  0.710  0.710  0.723  1.0
[/CIF]
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The crystal structure described by LaFe8Si5 crystallizes in the monoclinic C2/m space group. La(1) is bonded in a 24-coordinate geometry to two equivalent Fe(5), two equivalent Fe(6), two equivalent Fe(7), four equivalent Fe(1), four equivalent Fe(2), two equivalent Si(3), four equivalent Si(1), and four equivalent Si(2) atoms. There are seven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to two equivalent La(1), one Fe(4), one Fe(5), two equivalent Si(1), and two equivalent Si(2) atoms. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to two equivalent La(1), one Fe(3), one Fe(7), one Si(3), two equivalent Si(1), and two equivalent Si(2) atoms. In the third Fe site, Fe(3) is bonded in a cuboctahedral geometry to two equivalent Fe(7), four equivalent Fe(2), two equivalent Si(3), and four equivalent Si(1) atoms. In the fourth Fe site, Fe(4) is bonded in a cuboctahedral geometry to two equivalent Fe(5), two equivalent Fe(6), four equivalent Fe(1), and four equivalent Si(2) atoms. In the fifth Fe site, Fe(5) is bonded in a 12-coordinate geometry to two equivalent La(1), one Fe(4), one Fe(6), two equivalent Fe(1), two equivalent Fe(7), two equivalent Si(1), and two equivalent Si(2) atoms. In the sixth Fe site, Fe(6) is bonded in a 2-coordinate geometry to two equivalent La(1), one Fe(4), one Fe(5), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. In the seventh Fe site, Fe(7) is bonded in a 12-coordinate geometry to two equivalent La(1), one Fe(3), two equivalent Fe(2), two equivalent Fe(5), one Si(3), two equivalent Si(1), and two equivalent Si(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 11-coordinate geometry to two equivalent La(1), one Fe(3), one Fe(5), one Fe(6), one Fe(7), two equivalent Fe(1), two equivalent Fe(2), and one Si(3) atom. In the second Si site, Si(2) is bonded in a 11-coordinate geometry to two equivalent La(1), one Fe(4), one Fe(5), one Fe(6), one Fe(7), two equivalent Fe(1), two equivalent Fe(2), and one Si(3) atom. In the third Si site, Si(3) is bonded in a 12-coordinate geometry to two equivalent La(1), one Fe(3), one Fe(7), two equivalent Fe(2), two equivalent Fe(6), two equivalent Si(1), and two equivalent Si(2) atoms. is represented by the CIF card [CIF]
data_LaFe8Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.020
_cell_length_b   8.020
_cell_length_c   7.798
_cell_angle_alpha   60.898
_cell_angle_beta   60.898
_cell_angle_gamma   92.956
_symmetry_Int_Tables_number   1
_cell_volume   354.641
_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
  La  La0  1  0.252  0.748  0.000  1.0
  La  La1  1  0.748  0.252  0.000  1.0
  Fe  Fe2  1  0.200  0.555  0.750  1.0
  Fe  Fe3  1  0.445  0.800  0.250  1.0
  Fe  Fe4  1  0.951  0.305  0.498  1.0
  Fe  Fe5  1  0.695  0.049  0.502  1.0
  Fe  Fe6  1  0.800  0.445  0.250  1.0
  Fe  Fe7  1  0.555  0.200  0.750  1.0
  Fe  Fe8  1  0.049  0.695  0.502  1.0
  Fe  Fe9  1  0.305  0.951  0.498  1.0
  Fe  Fe10  1  0.000  0.000  0.500  1.0
  Fe  Fe11  1  0.500  0.500  0.500  1.0
  Fe  Fe12  1  0.200  0.200  0.870  1.0
  Fe  Fe13  1  0.800  0.800  0.130  1.0
  Fe  Fe14  1  0.440  0.440  0.870  1.0
  Fe  Fe15  1  0.560  0.560  0.130  1.0
  Fe  Fe16  1  0.930  0.930  0.269  1.0
  Fe  Fe17  1  0.070  0.070  0.731  1.0
  Si  Si18  1  0.710  0.960  0.842  1.0
  Si  Si19  1  0.040  0.290  0.158  1.0
  Si  Si20  1  0.547  0.796  0.491  1.0
  Si  Si21  1  0.204  0.453  0.509  1.0
  Si  Si22  1  0.290  0.040  0.158  1.0
  Si  Si23  1  0.960  0.710  0.842  1.0
  Si  Si24  1  0.453  0.204  0.509  1.0
  Si  Si25  1  0.796  0.547  0.491  1.0
  Si  Si26  1  0.290  0.290  0.277  1.0
  Si  Si27  1  0.710  0.710  0.723  1.0
[/CIF]
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