The material described by LiTmSn 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 3-coordinate geometry to two equivalent Tm(1), four equivalent Tm(2), 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 Tm(2), one Sn(2), and three equivalent Sn(1) atoms. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 12-coordinate geometry to six equivalent Li(1) and six equivalent Sn(1) atoms. In the second Tm site, Tm(2) 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. 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 Tm(1), and four equivalent Tm(2) 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 Tm(2) atoms. is represented by the CIF file [CIF]
data_LiTmSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.245
_cell_length_b   9.245
_cell_length_c   7.197
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   532.697
_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  0.666  0.711  1.0
  Li  Li1  1  0.833  0.167  0.711  1.0
  Li  Li2  1  0.333  0.667  0.823  1.0
  Li  Li3  1  0.667  0.333  0.323  1.0
  Li  Li4  1  0.666  0.833  0.211  1.0
  Li  Li5  1  0.167  0.334  0.211  1.0
  Li  Li6  1  0.167  0.833  0.211  1.0
  Li  Li7  1  0.334  0.167  0.711  1.0
  Tm  Tm8  1  0.000  0.000  0.001  1.0
  Tm  Tm9  1  1.000  1.000  0.501  1.0
  Tm  Tm10  1  0.511  0.489  0.007  1.0
  Tm  Tm11  1  0.022  0.511  0.507  1.0
  Tm  Tm12  1  0.489  0.978  0.507  1.0
  Tm  Tm13  1  0.511  0.022  0.007  1.0
  Tm  Tm14  1  0.978  0.489  0.007  1.0
  Tm  Tm15  1  0.489  0.511  0.507  1.0
  Sn  Sn16  1  0.167  0.833  0.770  1.0
  Sn  Sn17  1  0.667  0.333  0.741  1.0
  Sn  Sn18  1  0.333  0.667  0.241  1.0
  Sn  Sn19  1  0.833  0.167  0.270  1.0
  Sn  Sn20  1  0.167  0.333  0.770  1.0
  Sn  Sn21  1  0.333  0.167  0.270  1.0
  Sn  Sn22  1  0.833  0.667  0.270  1.0
  Sn  Sn23  1  0.667  0.833  0.770  1.0
[/CIF]
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The material described by LiTmSn 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 3-coordinate geometry to two equivalent Tm(1), four equivalent Tm(2), 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 Tm(2), one Sn(2), and three equivalent Sn(1) atoms. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 12-coordinate geometry to six equivalent Li(1) and six equivalent Sn(1) atoms. In the second Tm site, Tm(2) 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. 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 Tm(1), and four equivalent Tm(2) 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 Tm(2) atoms. is represented by the CIF file [CIF]
data_LiTmSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.245
_cell_length_b   9.245
_cell_length_c   7.197
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   532.697
_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  0.666  0.711  1.0
  Li  Li1  1  0.833  0.167  0.711  1.0
  Li  Li2  1  0.333  0.667  0.823  1.0
  Li  Li3  1  0.667  0.333  0.323  1.0
  Li  Li4  1  0.666  0.833  0.211  1.0
  Li  Li5  1  0.167  0.334  0.211  1.0
  Li  Li6  1  0.167  0.833  0.211  1.0
  Li  Li7  1  0.334  0.167  0.711  1.0
  Tm  Tm8  1  0.000  0.000  0.001  1.0
  Tm  Tm9  1  1.000  1.000  0.501  1.0
  Tm  Tm10  1  0.511  0.489  0.007  1.0
  Tm  Tm11  1  0.022  0.511  0.507  1.0
  Tm  Tm12  1  0.489  0.978  0.507  1.0
  Tm  Tm13  1  0.511  0.022  0.007  1.0
  Tm  Tm14  1  0.978  0.489  0.007  1.0
  Tm  Tm15  1  0.489  0.511  0.507  1.0
  Sn  Sn16  1  0.167  0.833  0.770  1.0
  Sn  Sn17  1  0.667  0.333  0.741  1.0
  Sn  Sn18  1  0.333  0.667  0.241  1.0
  Sn  Sn19  1  0.833  0.167  0.270  1.0
  Sn  Sn20  1  0.167  0.333  0.770  1.0
  Sn  Sn21  1  0.333  0.167  0.270  1.0
  Sn  Sn22  1  0.833  0.667  0.270  1.0
  Sn  Sn23  1  0.667  0.833  0.770  1.0
[/CIF]
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