The compound described by LiTmSn2 crystallizes in the orthorhombic Cmcm space group. Li(1) is bonded in a 5-coordinate geometry to four equivalent Tm(1), one Sn(1), and four equivalent Sn(2) atoms. Tm(1) is bonded in a 14-coordinate geometry to four equivalent Li(1), four equivalent Sn(2), and six equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted single-bond geometry to one Li(1) and six equivalent Tm(1) atoms. In the second Sn site, Sn(2) is bonded to four equivalent Li(1) and four equivalent Tm(1) atoms to form a mixture of edge and face-sharing SnLi4Tm4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiTmSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.850
_cell_length_b   9.850
_cell_length_c   4.484
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   154.731
_symmetry_Int_Tables_number   1
_cell_volume   185.714
_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
  Li  Li0  1  0.673  0.327  0.750  1.0
  Li  Li1  1  0.327  0.673  0.250  1.0
  Tm  Tm2  1  0.895  0.105  0.750  1.0
  Tm  Tm3  1  0.105  0.895  0.250  1.0
  Sn  Sn4  1  0.545  0.455  0.750  1.0
  Sn  Sn5  1  0.455  0.545  0.250  1.0
  Sn  Sn6  1  0.252  0.748  0.750  1.0
  Sn  Sn7  1  0.748  0.252  0.250  1.0
[/CIF]
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The compound described by LiTmSn2 crystallizes in the orthorhombic Cmcm space group. Li(1) is bonded in a 5-coordinate geometry to four equivalent Tm(1), one Sn(1), and four equivalent Sn(2) atoms. Tm(1) is bonded in a 14-coordinate geometry to four equivalent Li(1), four equivalent Sn(2), and six equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted single-bond geometry to one Li(1) and six equivalent Tm(1) atoms. In the second Sn site, Sn(2) is bonded to four equivalent Li(1) and four equivalent Tm(1) atoms to form a mixture of edge and face-sharing SnLi4Tm4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiTmSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.850
_cell_length_b   9.850
_cell_length_c   4.484
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   154.731
_symmetry_Int_Tables_number   1
_cell_volume   185.714
_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
  Li  Li0  1  0.673  0.327  0.750  1.0
  Li  Li1  1  0.327  0.673  0.250  1.0
  Tm  Tm2  1  0.895  0.105  0.750  1.0
  Tm  Tm3  1  0.105  0.895  0.250  1.0
  Sn  Sn4  1  0.545  0.455  0.750  1.0
  Sn  Sn5  1  0.455  0.545  0.250  1.0
  Sn  Sn6  1  0.252  0.748  0.750  1.0
  Sn  Sn7  1  0.748  0.252  0.250  1.0
[/CIF]
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