The material structure described by LaSi5 crystallizes in the monoclinic C2/m space group. La(1) is bonded in a 9-coordinate geometry to one Si(5), two equivalent Si(3), two equivalent Si(4), three equivalent Si(1), and four equivalent Si(2) atoms. There are five inequivalent Si sites. In the first Si site, Si(1) is bonded in a 6-coordinate geometry to three equivalent La(1), one Si(4), and two equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a 7-coordinate geometry to four equivalent La(1), one Si(2), and two equivalent Si(5) atoms. In the third Si site, Si(3) is bonded in a 5-coordinate geometry to two equivalent La(1), one Si(3), and two equivalent Si(4) atoms. In the fourth Si site, Si(4) is bonded in a 6-coordinate geometry to two equivalent La(1), one Si(1), one Si(5), and two equivalent Si(3) atoms. In the fifth Si site, Si(5) is bonded in a distorted see-saw-like geometry to one La(1), one Si(4), and two equivalent Si(2) atoms. is represented by the CIF card [CIF]
data_LaSi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.803
_cell_length_b   7.803
_cell_length_c   8.435
_cell_angle_alpha   72.194
_cell_angle_beta   72.194
_cell_angle_gamma   29.622
_symmetry_Int_Tables_number   1
_cell_volume   240.799
_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  0.433  0.433  0.272  1.0
  La  La1  1  0.567  0.567  0.728  1.0
  Si  Si2  1  0.231  0.231  0.584  1.0
  Si  Si3  1  0.769  0.769  0.416  1.0
  Si  Si4  1  0.926  0.926  0.977  1.0
  Si  Si5  1  0.074  0.074  0.023  1.0
  Si  Si6  1  0.938  0.938  0.625  1.0
  Si  Si7  1  0.062  0.062  0.375  1.0
  Si  Si8  1  0.350  0.350  0.708  1.0
  Si  Si9  1  0.650  0.650  0.292  1.0
  Si  Si10  1  0.325  0.325  0.003  1.0
  Si  Si11  1  0.675  0.675  0.997  1.0
[/CIF]
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The material structure described by LaSi5 crystallizes in the monoclinic C2/m space group. La(1) is bonded in a 9-coordinate geometry to one Si(5), two equivalent Si(3), two equivalent Si(4), three equivalent Si(1), and four equivalent Si(2) atoms. There are five inequivalent Si sites. In the first Si site, Si(1) is bonded in a 6-coordinate geometry to three equivalent La(1), one Si(4), and two equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a 7-coordinate geometry to four equivalent La(1), one Si(2), and two equivalent Si(5) atoms. In the third Si site, Si(3) is bonded in a 5-coordinate geometry to two equivalent La(1), one Si(3), and two equivalent Si(4) atoms. In the fourth Si site, Si(4) is bonded in a 6-coordinate geometry to two equivalent La(1), one Si(1), one Si(5), and two equivalent Si(3) atoms. In the fifth Si site, Si(5) is bonded in a distorted see-saw-like geometry to one La(1), one Si(4), and two equivalent Si(2) atoms. is represented by the CIF card [CIF]
data_LaSi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.803
_cell_length_b   7.803
_cell_length_c   8.435
_cell_angle_alpha   72.194
_cell_angle_beta   72.194
_cell_angle_gamma   29.622
_symmetry_Int_Tables_number   1
_cell_volume   240.799
_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  0.433  0.433  0.272  1.0
  La  La1  1  0.567  0.567  0.728  1.0
  Si  Si2  1  0.231  0.231  0.584  1.0
  Si  Si3  1  0.769  0.769  0.416  1.0
  Si  Si4  1  0.926  0.926  0.977  1.0
  Si  Si5  1  0.074  0.074  0.023  1.0
  Si  Si6  1  0.938  0.938  0.625  1.0
  Si  Si7  1  0.062  0.062  0.375  1.0
  Si  Si8  1  0.350  0.350  0.708  1.0
  Si  Si9  1  0.650  0.650  0.292  1.0
  Si  Si10  1  0.325  0.325  0.003  1.0
  Si  Si11  1  0.675  0.675  0.997  1.0
[/CIF]
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