The compound described by LaSi10 crystallizes in the hexagonal P6_3/mmc space group. La(1) is bonded in a 18-coordinate geometry to three equivalent Si(4), six equivalent Si(3), and nine equivalent Si(2) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to two equivalent Si(1) and three equivalent Si(4) atoms to form corner-sharing SiSi5 trigonal bipyramids. In the second Si site, Si(2) is bonded in a 7-coordinate geometry to three equivalent La(1), two equivalent Si(2), and two equivalent Si(3) atoms. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to two equivalent La(1), two equivalent Si(2), and four equivalent Si(4) atoms. In the fourth Si site, Si(4) is bonded in a 6-coordinate geometry to one La(1), one Si(1), and four equivalent Si(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaSi10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.500
_cell_length_b   9.500
_cell_length_c   4.835
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   377.904
_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  0.333  0.667  0.250  1.0
  La  La1  1  0.667  0.333  0.750  1.0
  Si  Si2  1  0.000  0.000  0.250  1.0
  Si  Si3  1  0.000  0.000  0.750  1.0
  Si  Si4  1  0.046  0.523  0.750  1.0
  Si  Si5  1  0.477  0.523  0.750  1.0
  Si  Si6  1  0.477  0.954  0.750  1.0
  Si  Si7  1  0.954  0.477  0.250  1.0
  Si  Si8  1  0.523  0.477  0.250  1.0
  Si  Si9  1  0.523  0.046  0.250  1.0
  Si  Si10  1  0.183  0.817  0.750  1.0
  Si  Si11  1  0.183  0.366  0.750  1.0
  Si  Si12  1  0.634  0.817  0.750  1.0
  Si  Si13  1  0.817  0.183  0.250  1.0
  Si  Si14  1  0.817  0.634  0.250  1.0
  Si  Si15  1  0.366  0.183  0.250  1.0
  Si  Si16  1  0.145  0.855  0.250  1.0
  Si  Si17  1  0.145  0.289  0.250  1.0
  Si  Si18  1  0.711  0.855  0.250  1.0
  Si  Si19  1  0.855  0.145  0.750  1.0
  Si  Si20  1  0.855  0.711  0.750  1.0
  Si  Si21  1  0.289  0.145  0.750  1.0
[/CIF]
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The compound described by LaSi10 crystallizes in the hexagonal P6_3/mmc space group. La(1) is bonded in a 18-coordinate geometry to three equivalent Si(4), six equivalent Si(3), and nine equivalent Si(2) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to two equivalent Si(1) and three equivalent Si(4) atoms to form corner-sharing SiSi5 trigonal bipyramids. In the second Si site, Si(2) is bonded in a 7-coordinate geometry to three equivalent La(1), two equivalent Si(2), and two equivalent Si(3) atoms. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to two equivalent La(1), two equivalent Si(2), and four equivalent Si(4) atoms. In the fourth Si site, Si(4) is bonded in a 6-coordinate geometry to one La(1), one Si(1), and four equivalent Si(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaSi10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.500
_cell_length_b   9.500
_cell_length_c   4.835
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   377.904
_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  0.333  0.667  0.250  1.0
  La  La1  1  0.667  0.333  0.750  1.0
  Si  Si2  1  0.000  0.000  0.250  1.0
  Si  Si3  1  0.000  0.000  0.750  1.0
  Si  Si4  1  0.046  0.523  0.750  1.0
  Si  Si5  1  0.477  0.523  0.750  1.0
  Si  Si6  1  0.477  0.954  0.750  1.0
  Si  Si7  1  0.954  0.477  0.250  1.0
  Si  Si8  1  0.523  0.477  0.250  1.0
  Si  Si9  1  0.523  0.046  0.250  1.0
  Si  Si10  1  0.183  0.817  0.750  1.0
  Si  Si11  1  0.183  0.366  0.750  1.0
  Si  Si12  1  0.634  0.817  0.750  1.0
  Si  Si13  1  0.817  0.183  0.250  1.0
  Si  Si14  1  0.817  0.634  0.250  1.0
  Si  Si15  1  0.366  0.183  0.250  1.0
  Si  Si16  1  0.145  0.855  0.250  1.0
  Si  Si17  1  0.145  0.289  0.250  1.0
  Si  Si18  1  0.711  0.855  0.250  1.0
  Si  Si19  1  0.855  0.145  0.750  1.0
  Si  Si20  1  0.855  0.711  0.750  1.0
  Si  Si21  1  0.289  0.145  0.750  1.0
[/CIF]
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