The material described by La5Sn3 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 4-coordinate geometry to four equivalent Sn(2) atoms. In the second La site, La(2) is bonded in a 6-coordinate geometry to two equivalent Sn(1) and four equivalent Sn(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to eight equivalent La(2) and two equivalent Sn(1) atoms. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to two equivalent La(1) and eight equivalent La(2) atoms. is represented by the CIF card [CIF]
data_La5Sn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.454
_cell_length_b   9.645
_cell_length_c   9.645
_cell_angle_alpha   83.569
_cell_angle_beta   70.449
_cell_angle_gamma   70.457
_symmetry_Int_Tables_number   1
_cell_volume   533.198
_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  0.500  0.500  1.0
  La  La1  1  0.750  0.500  0.500  1.0
  La  La2  1  0.084  0.132  0.701  1.0
  La  La3  1  0.785  0.299  0.132  1.0
  La  La4  1  0.215  0.701  0.868  1.0
  La  La5  1  0.916  0.868  0.299  1.0
  La  La6  1  0.285  0.132  0.299  1.0
  La  La7  1  0.715  0.868  0.701  1.0
  La  La8  1  0.417  0.299  0.868  1.0
  La  La9  1  0.583  0.701  0.132  1.0
  Sn  Sn10  1  0.250  1.000  1.000  1.0
  Sn  Sn11  1  0.750  0.000  0.000  1.0
  Sn  Sn12  1  0.160  0.500  0.180  1.0
  Sn  Sn13  1  0.340  0.820  0.500  1.0
  Sn  Sn14  1  0.660  0.180  0.500  1.0
  Sn  Sn15  1  0.840  0.500  0.820  1.0
[/CIF]
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The material described by La5Sn3 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 4-coordinate geometry to four equivalent Sn(2) atoms. In the second La site, La(2) is bonded in a 6-coordinate geometry to two equivalent Sn(1) and four equivalent Sn(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to eight equivalent La(2) and two equivalent Sn(1) atoms. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to two equivalent La(1) and eight equivalent La(2) atoms. is represented by the CIF card [CIF]
data_La5Sn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.454
_cell_length_b   9.645
_cell_length_c   9.645
_cell_angle_alpha   83.569
_cell_angle_beta   70.449
_cell_angle_gamma   70.457
_symmetry_Int_Tables_number   1
_cell_volume   533.198
_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  0.500  0.500  1.0
  La  La1  1  0.750  0.500  0.500  1.0
  La  La2  1  0.084  0.132  0.701  1.0
  La  La3  1  0.785  0.299  0.132  1.0
  La  La4  1  0.215  0.701  0.868  1.0
  La  La5  1  0.916  0.868  0.299  1.0
  La  La6  1  0.285  0.132  0.299  1.0
  La  La7  1  0.715  0.868  0.701  1.0
  La  La8  1  0.417  0.299  0.868  1.0
  La  La9  1  0.583  0.701  0.132  1.0
  Sn  Sn10  1  0.250  1.000  1.000  1.0
  Sn  Sn11  1  0.750  0.000  0.000  1.0
  Sn  Sn12  1  0.160  0.500  0.180  1.0
  Sn  Sn13  1  0.340  0.820  0.500  1.0
  Sn  Sn14  1  0.660  0.180  0.500  1.0
  Sn  Sn15  1  0.840  0.500  0.820  1.0
[/CIF]
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