The material described by Li2Sn(OH)6 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Sn(1)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-59°. Sn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SnO6 octahedra that share corners with four equivalent Li(1)O4 tetrahedra and edges with two equivalent Li(1)O4 tetrahedra. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Sn(1), and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Li(1), one Sn(1), and one H(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Sn(1), and one H(3) atom. is represented by the CIF file [CIF]
data_Li2Sn(HO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.231
_cell_length_b   5.633
_cell_length_c   10.089
_cell_angle_alpha   90.000
_cell_angle_beta   114.103
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   271.362
_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  0.064  0.730  0.658  1.0
  Li  Li1  1  0.064  0.770  0.158  1.0
  Li  Li2  1  0.936  0.270  0.342  1.0
  Li  Li3  1  0.936  0.230  0.842  1.0
  Sn  Sn4  1  0.500  0.000  0.000  1.0
  Sn  Sn5  1  0.500  0.500  0.500  1.0
  H  H6  1  0.003  0.822  0.879  1.0
  H  H7  1  0.003  0.678  0.379  1.0
  H  H8  1  0.997  0.178  0.121  1.0
  H  H9  1  0.997  0.322  0.621  1.0
  H  H10  1  0.333  0.421  0.063  1.0
  H  H11  1  0.333  0.079  0.563  1.0
  H  H12  1  0.667  0.579  0.937  1.0
  H  H13  1  0.667  0.921  0.437  1.0
  H  H14  1  0.558  0.753  0.231  1.0
  H  H15  1  0.558  0.747  0.731  1.0
  H  H16  1  0.442  0.247  0.769  1.0
  H  H17  1  0.442  0.253  0.269  1.0
  O  O18  1  0.114  0.906  0.834  1.0
  O  O19  1  0.114  0.594  0.334  1.0
  O  O20  1  0.886  0.094  0.166  1.0
  O  O21  1  0.886  0.406  0.666  1.0
  O  O22  1  0.256  0.258  0.049  1.0
  O  O23  1  0.256  0.242  0.549  1.0
  O  O24  1  0.744  0.742  0.951  1.0
  O  O25  1  0.744  0.758  0.451  1.0
  O  O26  1  0.414  0.754  0.131  1.0
  O  O27  1  0.414  0.746  0.631  1.0
  O  O28  1  0.586  0.246  0.869  1.0
  O  O29  1  0.586  0.254  0.369  1.0
[/CIF]
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The material described by Li2Sn(OH)6 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Sn(1)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-59°. Sn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SnO6 octahedra that share corners with four equivalent Li(1)O4 tetrahedra and edges with two equivalent Li(1)O4 tetrahedra. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Sn(1), and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Li(1), one Sn(1), and one H(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Sn(1), and one H(3) atom. is represented by the CIF file [CIF]
data_Li2Sn(HO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.231
_cell_length_b   5.633
_cell_length_c   10.089
_cell_angle_alpha   90.000
_cell_angle_beta   114.103
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   271.362
_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  0.064  0.730  0.658  1.0
  Li  Li1  1  0.064  0.770  0.158  1.0
  Li  Li2  1  0.936  0.270  0.342  1.0
  Li  Li3  1  0.936  0.230  0.842  1.0
  Sn  Sn4  1  0.500  0.000  0.000  1.0
  Sn  Sn5  1  0.500  0.500  0.500  1.0
  H  H6  1  0.003  0.822  0.879  1.0
  H  H7  1  0.003  0.678  0.379  1.0
  H  H8  1  0.997  0.178  0.121  1.0
  H  H9  1  0.997  0.322  0.621  1.0
  H  H10  1  0.333  0.421  0.063  1.0
  H  H11  1  0.333  0.079  0.563  1.0
  H  H12  1  0.667  0.579  0.937  1.0
  H  H13  1  0.667  0.921  0.437  1.0
  H  H14  1  0.558  0.753  0.231  1.0
  H  H15  1  0.558  0.747  0.731  1.0
  H  H16  1  0.442  0.247  0.769  1.0
  H  H17  1  0.442  0.253  0.269  1.0
  O  O18  1  0.114  0.906  0.834  1.0
  O  O19  1  0.114  0.594  0.334  1.0
  O  O20  1  0.886  0.094  0.166  1.0
  O  O21  1  0.886  0.406  0.666  1.0
  O  O22  1  0.256  0.258  0.049  1.0
  O  O23  1  0.256  0.242  0.549  1.0
  O  O24  1  0.744  0.742  0.951  1.0
  O  O25  1  0.744  0.758  0.451  1.0
  O  O26  1  0.414  0.754  0.131  1.0
  O  O27  1  0.414  0.746  0.631  1.0
  O  O28  1  0.586  0.246  0.869  1.0
  O  O29  1  0.586  0.254  0.369  1.0
[/CIF]
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