The structure described by LiLuSn 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 10-coordinate geometry to two equivalent Lu(2), four equivalent Lu(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 Lu(1), one Sn(2), and three equivalent Sn(1) atoms. There are two inequivalent Lu sites. In the first Lu site, Lu(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 Lu site, Lu(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 Lu(2), and four equivalent Lu(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 Lu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiLuSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.279
_cell_length_b   9.279
_cell_length_c   7.131
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   531.803
_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  0.165  0.331  0.288  1.0
  Li  Li1  1  0.165  0.835  0.288  1.0
  Li  Li2  1  0.669  0.835  0.288  1.0
  Li  Li3  1  0.835  0.669  0.788  1.0
  Li  Li4  1  0.835  0.165  0.788  1.0
  Li  Li5  1  0.331  0.165  0.788  1.0
  Li  Li6  1  0.333  0.667  0.659  1.0
  Li  Li7  1  0.667  0.333  0.159  1.0
  Lu  Lu8  1  0.513  0.027  0.495  1.0
  Lu  Lu9  1  0.513  0.487  0.495  1.0
  Lu  Lu10  1  0.973  0.487  0.495  1.0
  Lu  Lu11  1  0.487  0.973  0.995  1.0
  Lu  Lu12  1  0.487  0.513  0.995  1.0
  Lu  Lu13  1  0.027  0.513  0.995  1.0
  Lu  Lu14  1  0.000  0.000  0.502  1.0
  Lu  Lu15  1  0.000  0.000  0.002  1.0
  Sn  Sn16  1  0.167  0.333  0.732  1.0
  Sn  Sn17  1  0.167  0.833  0.732  1.0
  Sn  Sn18  1  0.667  0.833  0.732  1.0
  Sn  Sn19  1  0.833  0.667  0.232  1.0
  Sn  Sn20  1  0.833  0.167  0.232  1.0
  Sn  Sn21  1  0.333  0.167  0.232  1.0
  Sn  Sn22  1  0.333  0.667  0.265  1.0
  Sn  Sn23  1  0.667  0.333  0.765  1.0
[/CIF]
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The structure described by LiLuSn 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 10-coordinate geometry to two equivalent Lu(2), four equivalent Lu(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 Lu(1), one Sn(2), and three equivalent Sn(1) atoms. There are two inequivalent Lu sites. In the first Lu site, Lu(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 Lu site, Lu(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 Lu(2), and four equivalent Lu(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 Lu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiLuSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.279
_cell_length_b   9.279
_cell_length_c   7.131
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   531.803
_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  0.165  0.331  0.288  1.0
  Li  Li1  1  0.165  0.835  0.288  1.0
  Li  Li2  1  0.669  0.835  0.288  1.0
  Li  Li3  1  0.835  0.669  0.788  1.0
  Li  Li4  1  0.835  0.165  0.788  1.0
  Li  Li5  1  0.331  0.165  0.788  1.0
  Li  Li6  1  0.333  0.667  0.659  1.0
  Li  Li7  1  0.667  0.333  0.159  1.0
  Lu  Lu8  1  0.513  0.027  0.495  1.0
  Lu  Lu9  1  0.513  0.487  0.495  1.0
  Lu  Lu10  1  0.973  0.487  0.495  1.0
  Lu  Lu11  1  0.487  0.973  0.995  1.0
  Lu  Lu12  1  0.487  0.513  0.995  1.0
  Lu  Lu13  1  0.027  0.513  0.995  1.0
  Lu  Lu14  1  0.000  0.000  0.502  1.0
  Lu  Lu15  1  0.000  0.000  0.002  1.0
  Sn  Sn16  1  0.167  0.333  0.732  1.0
  Sn  Sn17  1  0.167  0.833  0.732  1.0
  Sn  Sn18  1  0.667  0.833  0.732  1.0
  Sn  Sn19  1  0.833  0.667  0.232  1.0
  Sn  Sn20  1  0.833  0.167  0.232  1.0
  Sn  Sn21  1  0.333  0.167  0.232  1.0
  Sn  Sn22  1  0.333  0.667  0.265  1.0
  Sn  Sn23  1  0.667  0.333  0.765  1.0
[/CIF]
.