The material described by LiSmSn crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal planar geometry to two equivalent Sm(2), four equivalent Sm(1), one Sn(2), and three equivalent Sn(1) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to six equivalent Sm(1), one Sn(2), and three equivalent Sn(1) atoms. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 12-coordinate geometry to two equivalent Li(2), four equivalent Li(1), two equivalent Sn(2), and four equivalent Sn(1) atoms. In the second Sm site, Sm(2) is bonded in a 12-coordinate geometry to six equivalent Li(1) and six equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to one Li(2), three equivalent Li(1), two equivalent Sm(2), and four equivalent Sm(1) atoms. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to one Li(2), three equivalent Li(1), and six equivalent Sm(1) atoms. is represented by the CIF card [CIF]
data_LiSmSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.426
_cell_length_b   9.426
_cell_length_c   7.594
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   584.289
_cell_formula_units_Z   8
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
  Li  Li0  1  0.833  0.167  0.710  1.0
  Li  Li1  1  0.833  0.666  0.710  1.0
  Li  Li2  1  0.334  0.167  0.710  1.0
  Li  Li3  1  0.167  0.833  0.210  1.0
  Li  Li4  1  0.167  0.334  0.210  1.0
  Li  Li5  1  0.666  0.833  0.210  1.0
  Li  Li6  1  0.667  0.333  0.330  1.0
  Li  Li7  1  0.333  0.667  0.830  1.0
  Sm  Sm8  1  0.488  0.512  0.506  1.0
  Sm  Sm9  1  0.488  0.977  0.506  1.0
  Sm  Sm10  1  0.023  0.512  0.506  1.0
  Sm  Sm11  1  0.512  0.488  0.006  1.0
  Sm  Sm12  1  0.512  0.023  0.006  1.0
  Sm  Sm13  1  0.977  0.488  0.006  1.0
  Sm  Sm14  1  0.000  1.000  0.501  1.0
  Sm  Sm15  1  1.000  0.000  0.001  1.0
  Sn  Sn16  1  0.833  0.167  0.271  1.0
  Sn  Sn17  1  0.833  0.667  0.271  1.0
  Sn  Sn18  1  0.333  0.167  0.271  1.0
  Sn  Sn19  1  0.167  0.833  0.771  1.0
  Sn  Sn20  1  0.167  0.333  0.771  1.0
  Sn  Sn21  1  0.667  0.833  0.771  1.0
  Sn  Sn22  1  0.667  0.333  0.737  1.0
  Sn  Sn23  1  0.333  0.667  0.237  1.0
[/CIF]
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The material described by LiSmSn crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal planar geometry to two equivalent Sm(2), four equivalent Sm(1), one Sn(2), and three equivalent Sn(1) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to six equivalent Sm(1), one Sn(2), and three equivalent Sn(1) atoms. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 12-coordinate geometry to two equivalent Li(2), four equivalent Li(1), two equivalent Sn(2), and four equivalent Sn(1) atoms. In the second Sm site, Sm(2) is bonded in a 12-coordinate geometry to six equivalent Li(1) and six equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to one Li(2), three equivalent Li(1), two equivalent Sm(2), and four equivalent Sm(1) atoms. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to one Li(2), three equivalent Li(1), and six equivalent Sm(1) atoms. is represented by the CIF card [CIF]
data_LiSmSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.426
_cell_length_b   9.426
_cell_length_c   7.594
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   584.289
_cell_formula_units_Z   8
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
  Li  Li0  1  0.833  0.167  0.710  1.0
  Li  Li1  1  0.833  0.666  0.710  1.0
  Li  Li2  1  0.334  0.167  0.710  1.0
  Li  Li3  1  0.167  0.833  0.210  1.0
  Li  Li4  1  0.167  0.334  0.210  1.0
  Li  Li5  1  0.666  0.833  0.210  1.0
  Li  Li6  1  0.667  0.333  0.330  1.0
  Li  Li7  1  0.333  0.667  0.830  1.0
  Sm  Sm8  1  0.488  0.512  0.506  1.0
  Sm  Sm9  1  0.488  0.977  0.506  1.0
  Sm  Sm10  1  0.023  0.512  0.506  1.0
  Sm  Sm11  1  0.512  0.488  0.006  1.0
  Sm  Sm12  1  0.512  0.023  0.006  1.0
  Sm  Sm13  1  0.977  0.488  0.006  1.0
  Sm  Sm14  1  0.000  1.000  0.501  1.0
  Sm  Sm15  1  1.000  0.000  0.001  1.0
  Sn  Sn16  1  0.833  0.167  0.271  1.0
  Sn  Sn17  1  0.833  0.667  0.271  1.0
  Sn  Sn18  1  0.333  0.167  0.271  1.0
  Sn  Sn19  1  0.167  0.833  0.771  1.0
  Sn  Sn20  1  0.167  0.333  0.771  1.0
  Sn  Sn21  1  0.667  0.833  0.771  1.0
  Sn  Sn22  1  0.667  0.333  0.737  1.0
  Sn  Sn23  1  0.333  0.667  0.237  1.0
[/CIF]
.