The material described by LiIrSn4 crystallizes in the tetragonal I4/mcm space group. Li(1) is bonded in a q6 geometry to two equivalent Ir(1) and eight equivalent Sn(1) atoms. Ir(1) is bonded in a distorted q6 geometry to two equivalent Li(1) and eight equivalent Sn(1) atoms. Sn(1) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Ir(1) atoms. is represented by the CIF file [CIF]
data_LiSn4Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.625
_cell_length_b   6.625
_cell_length_c   7.380
_cell_angle_alpha   116.671
_cell_angle_beta   116.671
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   250.251
_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  0.500  0.500  0.000  1.0
  Li  Li1  1  0.000  0.000  0.000  1.0
  Sn  Sn2  1  0.523  0.707  0.730  1.0
  Sn  Sn3  1  0.023  0.523  0.730  1.0
  Sn  Sn4  1  0.707  0.207  0.730  1.0
  Sn  Sn5  1  0.293  0.793  0.270  1.0
  Sn  Sn6  1  0.977  0.477  0.270  1.0
  Sn  Sn7  1  0.477  0.293  0.270  1.0
  Sn  Sn8  1  0.793  0.977  0.270  1.0
  Sn  Sn9  1  0.207  0.023  0.730  1.0
  Ir  Ir10  1  0.750  0.750  0.500  1.0
  Ir  Ir11  1  0.250  0.250  0.500  1.0
[/CIF]
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The material described by LiIrSn4 crystallizes in the tetragonal I4/mcm space group. Li(1) is bonded in a q6 geometry to two equivalent Ir(1) and eight equivalent Sn(1) atoms. Ir(1) is bonded in a distorted q6 geometry to two equivalent Li(1) and eight equivalent Sn(1) atoms. Sn(1) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Ir(1) atoms. is represented by the CIF file [CIF]
data_LiSn4Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.625
_cell_length_b   6.625
_cell_length_c   7.380
_cell_angle_alpha   116.671
_cell_angle_beta   116.671
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   250.251
_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  0.500  0.500  0.000  1.0
  Li  Li1  1  0.000  0.000  0.000  1.0
  Sn  Sn2  1  0.523  0.707  0.730  1.0
  Sn  Sn3  1  0.023  0.523  0.730  1.0
  Sn  Sn4  1  0.707  0.207  0.730  1.0
  Sn  Sn5  1  0.293  0.793  0.270  1.0
  Sn  Sn6  1  0.977  0.477  0.270  1.0
  Sn  Sn7  1  0.477  0.293  0.270  1.0
  Sn  Sn8  1  0.793  0.977  0.270  1.0
  Sn  Sn9  1  0.207  0.023  0.730  1.0
  Ir  Ir10  1  0.750  0.750  0.500  1.0
  Ir  Ir11  1  0.250  0.250  0.500  1.0
[/CIF]
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