The material described by La11Sn10 is delta Molybdenum Boride-like structured and crystallizes in the tetragonal I4/mmm space group. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to four equivalent Sn(3) and four equivalent Sn(5) atoms. In the second La site, La(2) is bonded to one Sn(3), two equivalent Sn(1), two equivalent Sn(4), and two equivalent Sn(5) atoms to form a mixture of distorted edge and face-sharing LaSn7 pentagonal bipyramids. In the third La site, La(3) is bonded in a 7-coordinate geometry to one Sn(1), one Sn(2), one Sn(4), and four equivalent Sn(5) atoms. In the fourth La site, La(4) is bonded in a 7-coordinate geometry to one Sn(2), two equivalent Sn(3), two equivalent Sn(4), and two equivalent Sn(5) atoms. There are five inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 8-coordinate geometry to four equivalent La(2) and four equivalent La(3) atoms. In the second Sn site, Sn(2) is bonded in a 8-coordinate geometry to four equivalent La(3) and four equivalent La(4) atoms. In the third Sn site, Sn(3) is bonded in a 9-coordinate geometry to one La(2), two equivalent La(1), four equivalent La(4), and two equivalent Sn(3) atoms. In the fourth Sn site, Sn(4) is bonded in a 9-coordinate geometry to two equivalent La(2), two equivalent La(3), four equivalent La(4), and one Sn(4) atom. In the fifth Sn site, Sn(5) is bonded in a 9-coordinate geometry to one La(1), one La(2), two equivalent La(4), four equivalent La(3), and one Sn(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_La11Sn10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.610
_cell_length_b   12.610
_cell_length_c   12.610
_cell_angle_alpha   122.094
_cell_angle_beta   122.094
_cell_angle_gamma   86.410
_symmetry_Int_Tables_number   1
_cell_volume   1369.969
_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  0.661  0.661  0.000  1.0
  La  La1  1  0.339  0.339  0.000  1.0
  La  La2  1  0.178  0.178  0.357  1.0
  La  La3  1  0.822  0.822  0.643  1.0
  La  La4  1  0.178  0.822  0.000  1.0
  La  La5  1  0.822  0.178  0.000  1.0
  La  La6  1  0.810  0.061  0.251  1.0
  La  La7  1  0.810  0.558  0.749  1.0
  La  La8  1  0.061  0.810  0.251  1.0
  La  La9  1  0.558  0.810  0.749  1.0
  La  La10  1  0.190  0.939  0.749  1.0
  La  La11  1  0.190  0.442  0.251  1.0
  La  La12  1  0.939  0.190  0.749  1.0
  La  La13  1  0.442  0.190  0.251  1.0
  La  La14  1  0.602  0.925  0.323  1.0
  La  La15  1  0.602  0.280  0.677  1.0
  La  La16  1  0.925  0.602  0.323  1.0
  La  La17  1  0.280  0.602  0.677  1.0
  La  La18  1  0.398  0.075  0.677  1.0
  La  La19  1  0.398  0.720  0.323  1.0
  La  La20  1  0.075  0.398  0.677  1.0
  La  La21  1  0.720  0.398  0.323  1.0
  Sn  Sn22  1  0.893  0.893  0.000  1.0
  Sn  Sn23  1  0.107  0.107  0.000  1.0
  Sn  Sn24  1  0.750  0.250  0.500  1.0
  Sn  Sn25  1  0.250  0.750  0.500  1.0
  Sn  Sn26  1  0.378  0.378  0.755  1.0
  Sn  Sn27  1  0.622  0.622  0.245  1.0
  Sn  Sn28  1  0.378  0.622  0.000  1.0
  Sn  Sn29  1  0.622  0.378  0.000  1.0
  Sn  Sn30  1  0.364  0.000  0.364  1.0
  Sn  Sn31  1  0.636  0.000  0.636  1.0
  Sn  Sn32  1  0.000  0.636  0.636  1.0
  Sn  Sn33  1  0.000  0.364  0.364  1.0
  Sn  Sn34  1  0.890  0.890  0.420  1.0
  Sn  Sn35  1  0.470  0.470  0.580  1.0
  Sn  Sn36  1  0.890  0.470  0.000  1.0
  Sn  Sn37  1  0.470  0.890  0.000  1.0
  Sn  Sn38  1  0.110  0.110  0.580  1.0
  Sn  Sn39  1  0.530  0.530  0.420  1.0
  Sn  Sn40  1  0.110  0.530  0.000  1.0
  Sn  Sn41  1  0.530  0.110  0.000  1.0
[/CIF]
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The material described by La11Sn10 is delta Molybdenum Boride-like structured and crystallizes in the tetragonal I4/mmm space group. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to four equivalent Sn(3) and four equivalent Sn(5) atoms. In the second La site, La(2) is bonded to one Sn(3), two equivalent Sn(1), two equivalent Sn(4), and two equivalent Sn(5) atoms to form a mixture of distorted edge and face-sharing LaSn7 pentagonal bipyramids. In the third La site, La(3) is bonded in a 7-coordinate geometry to one Sn(1), one Sn(2), one Sn(4), and four equivalent Sn(5) atoms. In the fourth La site, La(4) is bonded in a 7-coordinate geometry to one Sn(2), two equivalent Sn(3), two equivalent Sn(4), and two equivalent Sn(5) atoms. There are five inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 8-coordinate geometry to four equivalent La(2) and four equivalent La(3) atoms. In the second Sn site, Sn(2) is bonded in a 8-coordinate geometry to four equivalent La(3) and four equivalent La(4) atoms. In the third Sn site, Sn(3) is bonded in a 9-coordinate geometry to one La(2), two equivalent La(1), four equivalent La(4), and two equivalent Sn(3) atoms. In the fourth Sn site, Sn(4) is bonded in a 9-coordinate geometry to two equivalent La(2), two equivalent La(3), four equivalent La(4), and one Sn(4) atom. In the fifth Sn site, Sn(5) is bonded in a 9-coordinate geometry to one La(1), one La(2), two equivalent La(4), four equivalent La(3), and one Sn(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_La11Sn10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.610
_cell_length_b   12.610
_cell_length_c   12.610
_cell_angle_alpha   122.094
_cell_angle_beta   122.094
_cell_angle_gamma   86.410
_symmetry_Int_Tables_number   1
_cell_volume   1369.969
_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  0.661  0.661  0.000  1.0
  La  La1  1  0.339  0.339  0.000  1.0
  La  La2  1  0.178  0.178  0.357  1.0
  La  La3  1  0.822  0.822  0.643  1.0
  La  La4  1  0.178  0.822  0.000  1.0
  La  La5  1  0.822  0.178  0.000  1.0
  La  La6  1  0.810  0.061  0.251  1.0
  La  La7  1  0.810  0.558  0.749  1.0
  La  La8  1  0.061  0.810  0.251  1.0
  La  La9  1  0.558  0.810  0.749  1.0
  La  La10  1  0.190  0.939  0.749  1.0
  La  La11  1  0.190  0.442  0.251  1.0
  La  La12  1  0.939  0.190  0.749  1.0
  La  La13  1  0.442  0.190  0.251  1.0
  La  La14  1  0.602  0.925  0.323  1.0
  La  La15  1  0.602  0.280  0.677  1.0
  La  La16  1  0.925  0.602  0.323  1.0
  La  La17  1  0.280  0.602  0.677  1.0
  La  La18  1  0.398  0.075  0.677  1.0
  La  La19  1  0.398  0.720  0.323  1.0
  La  La20  1  0.075  0.398  0.677  1.0
  La  La21  1  0.720  0.398  0.323  1.0
  Sn  Sn22  1  0.893  0.893  0.000  1.0
  Sn  Sn23  1  0.107  0.107  0.000  1.0
  Sn  Sn24  1  0.750  0.250  0.500  1.0
  Sn  Sn25  1  0.250  0.750  0.500  1.0
  Sn  Sn26  1  0.378  0.378  0.755  1.0
  Sn  Sn27  1  0.622  0.622  0.245  1.0
  Sn  Sn28  1  0.378  0.622  0.000  1.0
  Sn  Sn29  1  0.622  0.378  0.000  1.0
  Sn  Sn30  1  0.364  0.000  0.364  1.0
  Sn  Sn31  1  0.636  0.000  0.636  1.0
  Sn  Sn32  1  0.000  0.636  0.636  1.0
  Sn  Sn33  1  0.000  0.364  0.364  1.0
  Sn  Sn34  1  0.890  0.890  0.420  1.0
  Sn  Sn35  1  0.470  0.470  0.580  1.0
  Sn  Sn36  1  0.890  0.470  0.000  1.0
  Sn  Sn37  1  0.470  0.890  0.000  1.0
  Sn  Sn38  1  0.110  0.110  0.580  1.0
  Sn  Sn39  1  0.530  0.530  0.420  1.0
  Sn  Sn40  1  0.110  0.530  0.000  1.0
  Sn  Sn41  1  0.530  0.110  0.000  1.0
[/CIF]
.