The structure described by Li2CuSn2 crystallizes in the tetragonal I4_1/amd space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 11-coordinate geometry to two equivalent Li(1); two equivalent Cu(1); and seven Sn(1,1) atoms. In the second Li site, Li(1) is bonded in a 11-coordinate geometry to two equivalent Li(1); two equivalent Cu(1); and seven Sn(1,1) atoms. Cu(1) is bonded in a distorted body-centered cubic geometry to four Li(1,1) and four Sn(1,1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 11-coordinate geometry to seven Li(1,1); two equivalent Cu(1); and two equivalent Sn(1) atoms. In the second Sn site, Sn(1) is bonded in a 11-coordinate geometry to seven Li(1,1); two equivalent Cu(1); and two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2CuSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.160
_cell_length_b   10.160
_cell_length_c   10.160
_cell_angle_alpha   154.951
_cell_angle_beta   154.951
_cell_angle_gamma   35.719
_symmetry_Int_Tables_number   1
_cell_volume   187.769
_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  0.826  0.826  0.000  1.0
  Li  Li1  1  0.576  0.076  0.500  1.0
  Li  Li2  1  0.924  0.424  0.500  1.0
  Li  Li3  1  0.174  0.174  0.000  1.0
  Cu  Cu4  1  0.750  0.250  0.500  1.0
  Cu  Cu5  1  0.000  0.000  0.000  1.0
  Sn  Sn6  1  0.323  0.323  0.000  1.0
  Sn  Sn7  1  0.073  0.573  0.500  1.0
  Sn  Sn8  1  0.427  0.927  0.500  1.0
  Sn  Sn9  1  0.677  0.677  0.000  1.0
[/CIF]
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The structure described by Li2CuSn2 crystallizes in the tetragonal I4_1/amd space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 11-coordinate geometry to two equivalent Li(1); two equivalent Cu(1); and seven Sn(1,1) atoms. In the second Li site, Li(1) is bonded in a 11-coordinate geometry to two equivalent Li(1); two equivalent Cu(1); and seven Sn(1,1) atoms. Cu(1) is bonded in a distorted body-centered cubic geometry to four Li(1,1) and four Sn(1,1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 11-coordinate geometry to seven Li(1,1); two equivalent Cu(1); and two equivalent Sn(1) atoms. In the second Sn site, Sn(1) is bonded in a 11-coordinate geometry to seven Li(1,1); two equivalent Cu(1); and two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2CuSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.160
_cell_length_b   10.160
_cell_length_c   10.160
_cell_angle_alpha   154.951
_cell_angle_beta   154.951
_cell_angle_gamma   35.719
_symmetry_Int_Tables_number   1
_cell_volume   187.769
_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  0.826  0.826  0.000  1.0
  Li  Li1  1  0.576  0.076  0.500  1.0
  Li  Li2  1  0.924  0.424  0.500  1.0
  Li  Li3  1  0.174  0.174  0.000  1.0
  Cu  Cu4  1  0.750  0.250  0.500  1.0
  Cu  Cu5  1  0.000  0.000  0.000  1.0
  Sn  Sn6  1  0.323  0.323  0.000  1.0
  Sn  Sn7  1  0.073  0.573  0.500  1.0
  Sn  Sn8  1  0.427  0.927  0.500  1.0
  Sn  Sn9  1  0.677  0.677  0.000  1.0
[/CIF]
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