The material structure described by Nd11Sn10 crystallizes in the tetragonal I4/mmm space group. There are four inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to one Sn(1), one Sn(2), one Sn(4), and four equivalent Sn(5) atoms to form a mixture of distorted corner, face, and edge-sharing NdSn7 pentagonal bipyramids. In the second Nd site, Nd(2) is bonded in a 7-coordinate geometry to one Sn(3), two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(5) atoms. In the third Nd site, Nd(3) is bonded in a 8-coordinate geometry to four equivalent Sn(3) and four equivalent Sn(5) atoms. In the fourth Nd site, Nd(4) is bonded in a 7-coordinate geometry to one Sn(4), two equivalent Sn(1), two equivalent Sn(3), 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 two equivalent Nd(1), two equivalent Nd(2), and four equivalent Nd(4) atoms. In the second Sn site, Sn(2) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Nd(2) atoms. In the third Sn site, Sn(3) is bonded in a 9-coordinate geometry to one Nd(2), two equivalent Nd(3), four equivalent Nd(4), and two equivalent Sn(3) atoms. In the fourth Sn site, Sn(4) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Nd(4) atoms. In the fifth Sn site, Sn(5) is bonded in a 9-coordinate geometry to one Nd(2), one Nd(3), two equivalent Nd(4), four equivalent Nd(1), and one Sn(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd11Sn10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.892
_cell_length_b   11.892
_cell_length_c   12.197
_cell_angle_alpha   119.183
_cell_angle_beta   119.183
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   1249.201
_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
  Nd  Nd0  1  0.939  0.190  0.380  1.0
  Nd  Nd1  1  0.442  0.190  0.380  1.0
  Nd  Nd2  1  0.190  0.442  0.380  1.0
  Nd  Nd3  1  0.190  0.939  0.380  1.0
  Nd  Nd4  1  0.061  0.810  0.620  1.0
  Nd  Nd5  1  0.558  0.810  0.620  1.0
  Nd  Nd6  1  0.810  0.558  0.620  1.0
  Nd  Nd7  1  0.810  0.061  0.620  1.0
  Nd  Nd8  1  0.825  0.175  1.000  1.0
  Nd  Nd9  1  0.175  0.825  0.000  1.0
  Nd  Nd10  1  0.175  0.175  0.000  1.0
  Nd  Nd11  1  0.825  0.825  1.000  1.0
  Nd  Nd12  1  0.337  0.337  0.674  1.0
  Nd  Nd13  1  0.663  0.663  0.326  1.0
  Nd  Nd14  1  0.070  0.398  0.796  1.0
  Nd  Nd15  1  0.726  0.398  0.797  1.0
  Nd  Nd16  1  0.398  0.726  0.797  1.0
  Nd  Nd17  1  0.398  0.070  0.796  1.0
  Nd  Nd18  1  0.930  0.602  0.204  1.0
  Nd  Nd19  1  0.274  0.602  0.203  1.0
  Nd  Nd20  1  0.602  0.274  0.203  1.0
  Nd  Nd21  1  0.602  0.930  0.204  1.0
  Sn  Sn22  1  1.000  0.357  1.000  1.0
  Sn  Sn23  1  0.000  0.643  0.000  1.0
  Sn  Sn24  1  0.358  1.000  1.000  1.0
  Sn  Sn25  1  0.642  0.000  0.000  1.0
  Sn  Sn26  1  0.110  0.110  0.220  1.0
  Sn  Sn27  1  0.890  0.890  0.780  1.0
  Sn  Sn28  1  0.626  0.374  1.000  1.0
  Sn  Sn29  1  0.374  0.626  0.000  1.0
  Sn  Sn30  1  0.374  0.374  1.000  1.0
  Sn  Sn31  1  0.626  0.626  0.000  1.0
  Sn  Sn32  1  0.750  0.250  0.500  1.0
  Sn  Sn33  1  0.250  0.750  0.500  1.0
  Sn  Sn34  1  0.114  0.530  0.644  1.0
  Sn  Sn35  1  0.530  0.114  0.644  1.0
  Sn  Sn36  1  0.530  0.530  0.644  1.0
  Sn  Sn37  1  0.114  0.114  0.644  1.0
  Sn  Sn38  1  0.886  0.470  0.356  1.0
  Sn  Sn39  1  0.470  0.886  0.356  1.0
  Sn  Sn40  1  0.470  0.470  0.356  1.0
  Sn  Sn41  1  0.886  0.886  0.356  1.0
[/CIF]
.
The material structure described by Nd11Sn10 crystallizes in the tetragonal I4/mmm space group. There are four inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to one Sn(1), one Sn(2), one Sn(4), and four equivalent Sn(5) atoms to form a mixture of distorted corner, face, and edge-sharing NdSn7 pentagonal bipyramids. In the second Nd site, Nd(2) is bonded in a 7-coordinate geometry to one Sn(3), two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(5) atoms. In the third Nd site, Nd(3) is bonded in a 8-coordinate geometry to four equivalent Sn(3) and four equivalent Sn(5) atoms. In the fourth Nd site, Nd(4) is bonded in a 7-coordinate geometry to one Sn(4), two equivalent Sn(1), two equivalent Sn(3), 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 two equivalent Nd(1), two equivalent Nd(2), and four equivalent Nd(4) atoms. In the second Sn site, Sn(2) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Nd(2) atoms. In the third Sn site, Sn(3) is bonded in a 9-coordinate geometry to one Nd(2), two equivalent Nd(3), four equivalent Nd(4), and two equivalent Sn(3) atoms. In the fourth Sn site, Sn(4) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Nd(4) atoms. In the fifth Sn site, Sn(5) is bonded in a 9-coordinate geometry to one Nd(2), one Nd(3), two equivalent Nd(4), four equivalent Nd(1), and one Sn(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd11Sn10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.892
_cell_length_b   11.892
_cell_length_c   12.197
_cell_angle_alpha   119.183
_cell_angle_beta   119.183
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   1249.201
_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
  Nd  Nd0  1  0.939  0.190  0.380  1.0
  Nd  Nd1  1  0.442  0.190  0.380  1.0
  Nd  Nd2  1  0.190  0.442  0.380  1.0
  Nd  Nd3  1  0.190  0.939  0.380  1.0
  Nd  Nd4  1  0.061  0.810  0.620  1.0
  Nd  Nd5  1  0.558  0.810  0.620  1.0
  Nd  Nd6  1  0.810  0.558  0.620  1.0
  Nd  Nd7  1  0.810  0.061  0.620  1.0
  Nd  Nd8  1  0.825  0.175  1.000  1.0
  Nd  Nd9  1  0.175  0.825  0.000  1.0
  Nd  Nd10  1  0.175  0.175  0.000  1.0
  Nd  Nd11  1  0.825  0.825  1.000  1.0
  Nd  Nd12  1  0.337  0.337  0.674  1.0
  Nd  Nd13  1  0.663  0.663  0.326  1.0
  Nd  Nd14  1  0.070  0.398  0.796  1.0
  Nd  Nd15  1  0.726  0.398  0.797  1.0
  Nd  Nd16  1  0.398  0.726  0.797  1.0
  Nd  Nd17  1  0.398  0.070  0.796  1.0
  Nd  Nd18  1  0.930  0.602  0.204  1.0
  Nd  Nd19  1  0.274  0.602  0.203  1.0
  Nd  Nd20  1  0.602  0.274  0.203  1.0
  Nd  Nd21  1  0.602  0.930  0.204  1.0
  Sn  Sn22  1  1.000  0.357  1.000  1.0
  Sn  Sn23  1  0.000  0.643  0.000  1.0
  Sn  Sn24  1  0.358  1.000  1.000  1.0
  Sn  Sn25  1  0.642  0.000  0.000  1.0
  Sn  Sn26  1  0.110  0.110  0.220  1.0
  Sn  Sn27  1  0.890  0.890  0.780  1.0
  Sn  Sn28  1  0.626  0.374  1.000  1.0
  Sn  Sn29  1  0.374  0.626  0.000  1.0
  Sn  Sn30  1  0.374  0.374  1.000  1.0
  Sn  Sn31  1  0.626  0.626  0.000  1.0
  Sn  Sn32  1  0.750  0.250  0.500  1.0
  Sn  Sn33  1  0.250  0.750  0.500  1.0
  Sn  Sn34  1  0.114  0.530  0.644  1.0
  Sn  Sn35  1  0.530  0.114  0.644  1.0
  Sn  Sn36  1  0.530  0.530  0.644  1.0
  Sn  Sn37  1  0.114  0.114  0.644  1.0
  Sn  Sn38  1  0.886  0.470  0.356  1.0
  Sn  Sn39  1  0.470  0.886  0.356  1.0
  Sn  Sn40  1  0.470  0.470  0.356  1.0
  Sn  Sn41  1  0.886  0.886  0.356  1.0
[/CIF]
.