The structure described by La5Si3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 5-coordinate geometry to two equivalent Si(2) and three equivalent Si(1) atoms. In the second La site, La(2) is bonded to two equivalent Si(2) and four equivalent Si(1) atoms to form distorted corner-sharing LaSi6 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent La(2), six equivalent La(1), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to two equivalent La(2) and eight equivalent La(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_La5Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.034
_cell_length_b   8.035
_cell_length_c   9.011
_cell_angle_alpha   116.472
_cell_angle_beta   116.471
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   451.576
_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  0.174  0.031  0.705  1.0
  La  La1  1  0.031  0.531  0.705  1.0
  La  La2  1  0.674  0.174  0.705  1.0
  La  La3  1  0.969  0.469  0.295  1.0
  La  La4  1  0.531  0.674  0.705  1.0
  La  La5  1  0.826  0.969  0.295  1.0
  La  La6  1  0.469  0.326  0.295  1.0
  La  La7  1  0.326  0.826  0.295  1.0
  La  La8  1  0.500  0.500  1.000  1.0
  La  La9  1  1.000  1.000  1.000  1.0
  Si  Si10  1  0.612  0.112  0.000  1.0
  Si  Si11  1  0.888  0.612  1.000  1.0
  Si  Si12  1  0.112  0.388  1.000  1.0
  Si  Si13  1  0.388  0.888  0.000  1.0
  Si  Si14  1  0.750  0.750  0.500  1.0
  Si  Si15  1  0.250  0.250  0.500  1.0
[/CIF]
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The structure described by La5Si3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 5-coordinate geometry to two equivalent Si(2) and three equivalent Si(1) atoms. In the second La site, La(2) is bonded to two equivalent Si(2) and four equivalent Si(1) atoms to form distorted corner-sharing LaSi6 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent La(2), six equivalent La(1), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to two equivalent La(2) and eight equivalent La(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_La5Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.034
_cell_length_b   8.035
_cell_length_c   9.011
_cell_angle_alpha   116.472
_cell_angle_beta   116.471
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   451.576
_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  0.174  0.031  0.705  1.0
  La  La1  1  0.031  0.531  0.705  1.0
  La  La2  1  0.674  0.174  0.705  1.0
  La  La3  1  0.969  0.469  0.295  1.0
  La  La4  1  0.531  0.674  0.705  1.0
  La  La5  1  0.826  0.969  0.295  1.0
  La  La6  1  0.469  0.326  0.295  1.0
  La  La7  1  0.326  0.826  0.295  1.0
  La  La8  1  0.500  0.500  1.000  1.0
  La  La9  1  1.000  1.000  1.000  1.0
  Si  Si10  1  0.612  0.112  0.000  1.0
  Si  Si11  1  0.888  0.612  1.000  1.0
  Si  Si12  1  0.112  0.388  1.000  1.0
  Si  Si13  1  0.388  0.888  0.000  1.0
  Si  Si14  1  0.750  0.750  0.500  1.0
  Si  Si15  1  0.250  0.250  0.500  1.0
[/CIF]
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