The compound described by La2Sn5 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded to two equivalent La(1), two equivalent Sn(2), two equivalent Sn(3), and six equivalent Sn(1) atoms to form a mixture of distorted edge, corner, and face-sharing LaLa2Sn10 cuboctahedra. In the second La site, La(2) is bonded in a 4-coordinate geometry to one Sn(3), one Sn(6), and two equivalent Sn(4) atoms. There are six inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to six equivalent La(1), two equivalent Sn(1), and two equivalent Sn(2) atoms. In the second Sn site, Sn(2) is bonded in a 12-coordinate geometry to two equivalent La(1), two equivalent Sn(1), two equivalent Sn(2), two equivalent Sn(4), and four equivalent Sn(3) atoms. In the third Sn site, Sn(3) is bonded in a 3-coordinate geometry to one La(2), two equivalent La(1), and four equivalent Sn(2) atoms. In the fourth Sn site, Sn(4) is bonded in a distorted bent 120 degrees geometry to two equivalent La(2) and two equivalent Sn(2) atoms. In the fifth Sn site, Sn(5) is bonded in a hexagonal planar geometry to two equivalent Sn(5) and four equivalent Sn(6) atoms. In the sixth Sn site, Sn(6) is bonded in a linear geometry to two equivalent La(2) and four equivalent Sn(5) atoms. is represented by the CIF card [CIF]
data_La2Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.673
_cell_length_b   22.673
_cell_length_c   3.271
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   14.764
_symmetry_Int_Tables_number   1
_cell_volume   428.514
_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  0.706  0.706  0.000  1.0
  La  La1  1  0.294  0.294  0.000  1.0
  La  La2  1  0.570  0.570  0.500  1.0
  La  La3  1  0.430  0.430  0.500  1.0
  Sn  Sn4  1  0.775  0.775  0.500  1.0
  Sn  Sn5  1  0.225  0.225  0.500  1.0
  Sn  Sn6  1  0.839  0.839  0.000  1.0
  Sn  Sn7  1  0.161  0.161  0.000  1.0
  Sn  Sn8  1  0.641  0.641  0.500  1.0
  Sn  Sn9  1  0.359  0.359  0.500  1.0
  Sn  Sn10  1  0.897  0.897  0.500  1.0
  Sn  Sn11  1  0.103  0.103  0.500  1.0
  Sn  Sn12  1  0.000  0.000  0.000  1.0
  Sn  Sn13  1  0.500  0.500  0.500  1.0
[/CIF]
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The compound described by La2Sn5 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded to two equivalent La(1), two equivalent Sn(2), two equivalent Sn(3), and six equivalent Sn(1) atoms to form a mixture of distorted edge, corner, and face-sharing LaLa2Sn10 cuboctahedra. In the second La site, La(2) is bonded in a 4-coordinate geometry to one Sn(3), one Sn(6), and two equivalent Sn(4) atoms. There are six inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to six equivalent La(1), two equivalent Sn(1), and two equivalent Sn(2) atoms. In the second Sn site, Sn(2) is bonded in a 12-coordinate geometry to two equivalent La(1), two equivalent Sn(1), two equivalent Sn(2), two equivalent Sn(4), and four equivalent Sn(3) atoms. In the third Sn site, Sn(3) is bonded in a 3-coordinate geometry to one La(2), two equivalent La(1), and four equivalent Sn(2) atoms. In the fourth Sn site, Sn(4) is bonded in a distorted bent 120 degrees geometry to two equivalent La(2) and two equivalent Sn(2) atoms. In the fifth Sn site, Sn(5) is bonded in a hexagonal planar geometry to two equivalent Sn(5) and four equivalent Sn(6) atoms. In the sixth Sn site, Sn(6) is bonded in a linear geometry to two equivalent La(2) and four equivalent Sn(5) atoms. is represented by the CIF card [CIF]
data_La2Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.673
_cell_length_b   22.673
_cell_length_c   3.271
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   14.764
_symmetry_Int_Tables_number   1
_cell_volume   428.514
_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  0.706  0.706  0.000  1.0
  La  La1  1  0.294  0.294  0.000  1.0
  La  La2  1  0.570  0.570  0.500  1.0
  La  La3  1  0.430  0.430  0.500  1.0
  Sn  Sn4  1  0.775  0.775  0.500  1.0
  Sn  Sn5  1  0.225  0.225  0.500  1.0
  Sn  Sn6  1  0.839  0.839  0.000  1.0
  Sn  Sn7  1  0.161  0.161  0.000  1.0
  Sn  Sn8  1  0.641  0.641  0.500  1.0
  Sn  Sn9  1  0.359  0.359  0.500  1.0
  Sn  Sn10  1  0.897  0.897  0.500  1.0
  Sn  Sn11  1  0.103  0.103  0.500  1.0
  Sn  Sn12  1  0.000  0.000  0.000  1.0
  Sn  Sn13  1  0.500  0.500  0.500  1.0
[/CIF]
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