The material structure described by La3Sn4 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to two equivalent Sn(1), two equivalent Sn(3), and four equivalent Sn(2) atoms. In the second La site, La(2) is bonded in a 7-coordinate geometry to three equivalent Sn(3) and four equivalent Sn(2) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 4-coordinate geometry to four equivalent La(1) and four equivalent Sn(2) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to two equivalent La(2), four equivalent La(1), one Sn(3), and two equivalent Sn(1) atoms. In the third Sn site, Sn(3) is bonded in a 9-coordinate geometry to three equivalent La(2), four equivalent La(1), and two equivalent Sn(2) atoms. is represented by the CIF file [CIF]
data_La3Sn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.591
_cell_length_b   6.407
_cell_length_c   15.962
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   69.006
_symmetry_Int_Tables_number   1
_cell_volume   438.283
_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  0.672  0.656  0.097  1.0
  La  La1  1  0.956  0.088  0.250  1.0
  La  La2  1  0.672  0.656  0.403  1.0
  La  La3  1  0.328  0.344  0.597  1.0
  La  La4  1  0.044  0.912  0.750  1.0
  La  La5  1  0.328  0.344  0.903  1.0
  Sn  Sn6  1  0.000  0.000  0.000  1.0
  Sn  Sn7  1  0.384  0.232  0.108  1.0
  Sn  Sn8  1  0.227  0.546  0.250  1.0
  Sn  Sn9  1  0.384  0.232  0.392  1.0
  Sn  Sn10  1  0.000  0.000  0.500  1.0
  Sn  Sn11  1  0.616  0.768  0.608  1.0
  Sn  Sn12  1  0.773  0.454  0.750  1.0
  Sn  Sn13  1  0.616  0.768  0.892  1.0
[/CIF]
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The material structure described by La3Sn4 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to two equivalent Sn(1), two equivalent Sn(3), and four equivalent Sn(2) atoms. In the second La site, La(2) is bonded in a 7-coordinate geometry to three equivalent Sn(3) and four equivalent Sn(2) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 4-coordinate geometry to four equivalent La(1) and four equivalent Sn(2) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to two equivalent La(2), four equivalent La(1), one Sn(3), and two equivalent Sn(1) atoms. In the third Sn site, Sn(3) is bonded in a 9-coordinate geometry to three equivalent La(2), four equivalent La(1), and two equivalent Sn(2) atoms. is represented by the CIF file [CIF]
data_La3Sn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.591
_cell_length_b   6.407
_cell_length_c   15.962
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   69.006
_symmetry_Int_Tables_number   1
_cell_volume   438.283
_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  0.672  0.656  0.097  1.0
  La  La1  1  0.956  0.088  0.250  1.0
  La  La2  1  0.672  0.656  0.403  1.0
  La  La3  1  0.328  0.344  0.597  1.0
  La  La4  1  0.044  0.912  0.750  1.0
  La  La5  1  0.328  0.344  0.903  1.0
  Sn  Sn6  1  0.000  0.000  0.000  1.0
  Sn  Sn7  1  0.384  0.232  0.108  1.0
  Sn  Sn8  1  0.227  0.546  0.250  1.0
  Sn  Sn9  1  0.384  0.232  0.392  1.0
  Sn  Sn10  1  0.000  0.000  0.500  1.0
  Sn  Sn11  1  0.616  0.768  0.608  1.0
  Sn  Sn12  1  0.773  0.454  0.750  1.0
  Sn  Sn13  1  0.616  0.768  0.892  1.0
[/CIF]
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