The material structure described by LiSnCl3 is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the triclinic P1 space group. Li(1) is bonded to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form corner-sharing LiCl6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. Sn(1) is bonded in a distorted T-shaped geometry to one Cl(1), one Cl(2), and one Cl(3) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one Sn(1) atom. In the second Cl site, Cl(2) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one Sn(1) atom. In the third Cl site, Cl(3) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSnCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.072
_cell_length_b   5.079
_cell_length_c   5.089
_cell_angle_alpha   87.360
_cell_angle_beta   87.392
_cell_angle_gamma   87.481
_symmetry_Int_Tables_number   1
_cell_volume   130.682
_cell_formula_units_Z   1
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  0.112  0.123  0.112  1.0
  Sn  Sn1  1  0.482  0.494  0.484  1.0
  Cl  Cl2  1  0.138  0.637  0.146  1.0
  Cl  Cl3  1  0.143  0.150  0.627  1.0
  Cl  Cl4  1  0.625  0.155  0.141  1.0
[/CIF]
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The material structure described by LiSnCl3 is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the triclinic P1 space group. Li(1) is bonded to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form corner-sharing LiCl6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. Sn(1) is bonded in a distorted T-shaped geometry to one Cl(1), one Cl(2), and one Cl(3) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one Sn(1) atom. In the second Cl site, Cl(2) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one Sn(1) atom. In the third Cl site, Cl(3) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSnCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.072
_cell_length_b   5.079
_cell_length_c   5.089
_cell_angle_alpha   87.360
_cell_angle_beta   87.392
_cell_angle_gamma   87.481
_symmetry_Int_Tables_number   1
_cell_volume   130.682
_cell_formula_units_Z   1
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  0.112  0.123  0.112  1.0
  Sn  Sn1  1  0.482  0.494  0.484  1.0
  Cl  Cl2  1  0.138  0.637  0.146  1.0
  Cl  Cl3  1  0.143  0.150  0.627  1.0
  Cl  Cl4  1  0.625  0.155  0.141  1.0
[/CIF]
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