The material structure described by La5Sn4 crystallizes in the orthorhombic Pnma space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 6-coordinate geometry to one Sn(3), two equivalent Sn(2), and four equivalent Sn(1) atoms. In the second La site, La(2) is bonded in a 6-coordinate geometry to one Sn(2), two equivalent Sn(3), and three equivalent Sn(1) atoms. In the third La site, La(3) is bonded to two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms to form corner-sharing LaSn6 octahedra. The corner-sharing octahedral tilt angles range from 52-56°. There are three inequivalent Sn sites. In the first Sn site, Sn(3) is bonded in a 9-coordinate geometry to two equivalent La(1), two equivalent La(3), four equivalent La(2), and one Sn(2) atom. In the second Sn site, Sn(1) is bonded in a 8-coordinate geometry to one La(3), three equivalent La(2), and four equivalent La(1) atoms. In the third Sn site, Sn(2) is bonded in a 9-coordinate geometry to two equivalent La(2), two equivalent La(3), four equivalent La(1), and one Sn(3) atom. is represented by the CIF card [CIF]
data_La5Sn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.559
_cell_length_b   8.656
_cell_length_c   16.331
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1209.846
_cell_formula_units_Z   4
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  0.973  0.820  0.899  1.0
  La  La1  1  0.473  0.680  0.601  1.0
  La  La2  1  0.527  0.320  0.101  1.0
  La  La3  1  0.027  0.180  0.399  1.0
  La  La4  1  0.973  0.820  0.601  1.0
  La  La5  1  0.473  0.680  0.899  1.0
  La  La6  1  0.527  0.320  0.399  1.0
  La  La7  1  0.027  0.180  0.101  1.0
  La  La8  1  0.881  0.661  0.383  1.0
  La  La9  1  0.381  0.839  0.117  1.0
  La  La10  1  0.619  0.161  0.617  1.0
  La  La11  1  0.119  0.339  0.883  1.0
  La  La12  1  0.119  0.339  0.617  1.0
  La  La13  1  0.619  0.161  0.883  1.0
  La  La14  1  0.381  0.839  0.383  1.0
  La  La15  1  0.881  0.661  0.117  1.0
  La  La16  1  0.291  0.004  0.750  1.0
  La  La17  1  0.791  0.496  0.750  1.0
  La  La18  1  0.209  0.504  0.250  1.0
  La  La19  1  0.709  0.996  0.250  1.0
  Sn  Sn20  1  0.779  0.468  0.544  1.0
  Sn  Sn21  1  0.279  0.032  0.956  1.0
  Sn  Sn22  1  0.721  0.968  0.456  1.0
  Sn  Sn23  1  0.221  0.532  0.044  1.0
  Sn  Sn24  1  0.221  0.532  0.456  1.0
  Sn  Sn25  1  0.721  0.968  0.044  1.0
  Sn  Sn26  1  0.279  0.032  0.544  1.0
  Sn  Sn27  1  0.779  0.468  0.956  1.0
  Sn  Sn28  1  0.172  0.637  0.750  1.0
  Sn  Sn29  1  0.672  0.863  0.750  1.0
  Sn  Sn30  1  0.328  0.137  0.250  1.0
  Sn  Sn31  1  0.828  0.363  0.250  1.0
  Sn  Sn32  1  0.917  0.112  0.750  1.0
  Sn  Sn33  1  0.417  0.388  0.750  1.0
  Sn  Sn34  1  0.583  0.612  0.250  1.0
  Sn  Sn35  1  0.083  0.888  0.250  1.0
[/CIF]
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The material structure described by La5Sn4 crystallizes in the orthorhombic Pnma space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 6-coordinate geometry to one Sn(3), two equivalent Sn(2), and four equivalent Sn(1) atoms. In the second La site, La(2) is bonded in a 6-coordinate geometry to one Sn(2), two equivalent Sn(3), and three equivalent Sn(1) atoms. In the third La site, La(3) is bonded to two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms to form corner-sharing LaSn6 octahedra. The corner-sharing octahedral tilt angles range from 52-56°. There are three inequivalent Sn sites. In the first Sn site, Sn(3) is bonded in a 9-coordinate geometry to two equivalent La(1), two equivalent La(3), four equivalent La(2), and one Sn(2) atom. In the second Sn site, Sn(1) is bonded in a 8-coordinate geometry to one La(3), three equivalent La(2), and four equivalent La(1) atoms. In the third Sn site, Sn(2) is bonded in a 9-coordinate geometry to two equivalent La(2), two equivalent La(3), four equivalent La(1), and one Sn(3) atom. is represented by the CIF card [CIF]
data_La5Sn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.559
_cell_length_b   8.656
_cell_length_c   16.331
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1209.846
_cell_formula_units_Z   4
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  0.973  0.820  0.899  1.0
  La  La1  1  0.473  0.680  0.601  1.0
  La  La2  1  0.527  0.320  0.101  1.0
  La  La3  1  0.027  0.180  0.399  1.0
  La  La4  1  0.973  0.820  0.601  1.0
  La  La5  1  0.473  0.680  0.899  1.0
  La  La6  1  0.527  0.320  0.399  1.0
  La  La7  1  0.027  0.180  0.101  1.0
  La  La8  1  0.881  0.661  0.383  1.0
  La  La9  1  0.381  0.839  0.117  1.0
  La  La10  1  0.619  0.161  0.617  1.0
  La  La11  1  0.119  0.339  0.883  1.0
  La  La12  1  0.119  0.339  0.617  1.0
  La  La13  1  0.619  0.161  0.883  1.0
  La  La14  1  0.381  0.839  0.383  1.0
  La  La15  1  0.881  0.661  0.117  1.0
  La  La16  1  0.291  0.004  0.750  1.0
  La  La17  1  0.791  0.496  0.750  1.0
  La  La18  1  0.209  0.504  0.250  1.0
  La  La19  1  0.709  0.996  0.250  1.0
  Sn  Sn20  1  0.779  0.468  0.544  1.0
  Sn  Sn21  1  0.279  0.032  0.956  1.0
  Sn  Sn22  1  0.721  0.968  0.456  1.0
  Sn  Sn23  1  0.221  0.532  0.044  1.0
  Sn  Sn24  1  0.221  0.532  0.456  1.0
  Sn  Sn25  1  0.721  0.968  0.044  1.0
  Sn  Sn26  1  0.279  0.032  0.544  1.0
  Sn  Sn27  1  0.779  0.468  0.956  1.0
  Sn  Sn28  1  0.172  0.637  0.750  1.0
  Sn  Sn29  1  0.672  0.863  0.750  1.0
  Sn  Sn30  1  0.328  0.137  0.250  1.0
  Sn  Sn31  1  0.828  0.363  0.250  1.0
  Sn  Sn32  1  0.917  0.112  0.750  1.0
  Sn  Sn33  1  0.417  0.388  0.750  1.0
  Sn  Sn34  1  0.583  0.612  0.250  1.0
  Sn  Sn35  1  0.083  0.888  0.250  1.0
[/CIF]
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