The compound described by LaFe8Si5 crystallizes in the tetragonal I4/mcm space group. La(1) is bonded in a 24-coordinate geometry to eight equivalent Fe(1), eight equivalent Fe(2), and eight equivalent Si(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 12-coordinate geometry to two equivalent La(1), two equivalent Fe(2), three equivalent Fe(1), one Si(2), and four equivalent Si(1) atoms. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to two equivalent La(1), two equivalent Fe(1), three equivalent Fe(2), one Si(2), and four equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 11-coordinate geometry to two equivalent La(1), four equivalent Fe(1), four equivalent Fe(2), and one Si(2) atom. In the second Si site, Si(2) is bonded in a cuboctahedral geometry to four equivalent Fe(1), four equivalent Fe(2), and four equivalent Si(1) atoms. is represented by the CIF file [CIF]
data_LaFe8Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.025
_cell_length_b   8.025
_cell_length_c   8.025
_cell_angle_alpha   121.020
_cell_angle_beta   121.020
_cell_angle_gamma   88.243
_symmetry_Int_Tables_number   1
_cell_volume   359.597
_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  0.250  0.250  0.000  1.0
  La  La1  1  0.750  0.750  0.000  1.0
  Fe  Fe2  1  0.288  0.788  0.727  1.0
  Fe  Fe3  1  0.712  0.212  0.273  1.0
  Fe  Fe4  1  0.061  0.561  0.273  1.0
  Fe  Fe5  1  0.788  0.061  0.500  1.0
  Fe  Fe6  1  0.439  0.712  0.500  1.0
  Fe  Fe7  1  0.939  0.439  0.727  1.0
  Fe  Fe8  1  0.212  0.939  0.500  1.0
  Fe  Fe9  1  0.561  0.288  0.500  1.0
  Fe  Fe10  1  0.202  0.060  0.262  1.0
  Fe  Fe11  1  0.798  0.940  0.738  1.0
  Fe  Fe12  1  0.060  0.798  0.858  1.0
  Fe  Fe13  1  0.702  0.440  0.142  1.0
  Fe  Fe14  1  0.940  0.202  0.142  1.0
  Fe  Fe15  1  0.298  0.560  0.858  1.0
  Fe  Fe16  1  0.560  0.702  0.262  1.0
  Fe  Fe17  1  0.440  0.298  0.738  1.0
  Si  Si18  1  0.810  0.310  0.865  1.0
  Si  Si19  1  0.190  0.690  0.135  1.0
  Si  Si20  1  0.446  0.946  0.135  1.0
  Si  Si21  1  0.310  0.446  0.500  1.0
  Si  Si22  1  0.054  0.190  0.500  1.0
  Si  Si23  1  0.554  0.054  0.865  1.0
  Si  Si24  1  0.690  0.554  0.500  1.0
  Si  Si25  1  0.946  0.810  0.500  1.0
  Si  Si26  1  0.500  0.000  0.500  1.0
  Si  Si27  1  0.000  0.500  0.500  1.0
[/CIF]
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The compound described by LaFe8Si5 crystallizes in the tetragonal I4/mcm space group. La(1) is bonded in a 24-coordinate geometry to eight equivalent Fe(1), eight equivalent Fe(2), and eight equivalent Si(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 12-coordinate geometry to two equivalent La(1), two equivalent Fe(2), three equivalent Fe(1), one Si(2), and four equivalent Si(1) atoms. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to two equivalent La(1), two equivalent Fe(1), three equivalent Fe(2), one Si(2), and four equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 11-coordinate geometry to two equivalent La(1), four equivalent Fe(1), four equivalent Fe(2), and one Si(2) atom. In the second Si site, Si(2) is bonded in a cuboctahedral geometry to four equivalent Fe(1), four equivalent Fe(2), and four equivalent Si(1) atoms. is represented by the CIF file [CIF]
data_LaFe8Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.025
_cell_length_b   8.025
_cell_length_c   8.025
_cell_angle_alpha   121.020
_cell_angle_beta   121.020
_cell_angle_gamma   88.243
_symmetry_Int_Tables_number   1
_cell_volume   359.597
_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  0.250  0.250  0.000  1.0
  La  La1  1  0.750  0.750  0.000  1.0
  Fe  Fe2  1  0.288  0.788  0.727  1.0
  Fe  Fe3  1  0.712  0.212  0.273  1.0
  Fe  Fe4  1  0.061  0.561  0.273  1.0
  Fe  Fe5  1  0.788  0.061  0.500  1.0
  Fe  Fe6  1  0.439  0.712  0.500  1.0
  Fe  Fe7  1  0.939  0.439  0.727  1.0
  Fe  Fe8  1  0.212  0.939  0.500  1.0
  Fe  Fe9  1  0.561  0.288  0.500  1.0
  Fe  Fe10  1  0.202  0.060  0.262  1.0
  Fe  Fe11  1  0.798  0.940  0.738  1.0
  Fe  Fe12  1  0.060  0.798  0.858  1.0
  Fe  Fe13  1  0.702  0.440  0.142  1.0
  Fe  Fe14  1  0.940  0.202  0.142  1.0
  Fe  Fe15  1  0.298  0.560  0.858  1.0
  Fe  Fe16  1  0.560  0.702  0.262  1.0
  Fe  Fe17  1  0.440  0.298  0.738  1.0
  Si  Si18  1  0.810  0.310  0.865  1.0
  Si  Si19  1  0.190  0.690  0.135  1.0
  Si  Si20  1  0.446  0.946  0.135  1.0
  Si  Si21  1  0.310  0.446  0.500  1.0
  Si  Si22  1  0.054  0.190  0.500  1.0
  Si  Si23  1  0.554  0.054  0.865  1.0
  Si  Si24  1  0.690  0.554  0.500  1.0
  Si  Si25  1  0.946  0.810  0.500  1.0
  Si  Si26  1  0.500  0.000  0.500  1.0
  Si  Si27  1  0.000  0.500  0.500  1.0
[/CIF]
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