The material described by Li2SnO6 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. Sn(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to two equivalent Li(1) and one Sn(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one Sn(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one Sn(1) atom. is represented by the CIF card [CIF]
data_Li2SnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.739
_cell_length_b   3.712
_cell_length_c   10.441
_cell_angle_alpha   72.916
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   212.618
_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  0.498  0.488  0.149  1.0
  Li  Li1  1  0.002  0.488  0.649  1.0
  Li  Li2  1  0.502  0.512  0.851  1.0
  Li  Li3  1  0.998  0.512  0.351  1.0
  Sn  Sn4  1  0.500  0.000  0.500  1.0
  Sn  Sn5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.600  0.461  0.337  1.0
  O  O7  1  0.900  0.461  0.837  1.0
  O  O8  1  0.400  0.539  0.663  1.0
  O  O9  1  0.100  0.539  0.163  1.0
  O  O10  1  0.801  0.726  0.467  1.0
  O  O11  1  0.699  0.726  0.967  1.0
  O  O12  1  0.199  0.274  0.533  1.0
  O  O13  1  0.301  0.274  0.033  1.0
  O  O14  1  0.297  0.785  0.370  1.0
  O  O15  1  0.203  0.785  0.870  1.0
  O  O16  1  0.703  0.215  0.630  1.0
  O  O17  1  0.797  0.215  0.130  1.0
[/CIF]
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The material described by Li2SnO6 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. Sn(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to two equivalent Li(1) and one Sn(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one Sn(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one Sn(1) atom. is represented by the CIF card [CIF]
data_Li2SnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.739
_cell_length_b   3.712
_cell_length_c   10.441
_cell_angle_alpha   72.916
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   212.618
_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  0.498  0.488  0.149  1.0
  Li  Li1  1  0.002  0.488  0.649  1.0
  Li  Li2  1  0.502  0.512  0.851  1.0
  Li  Li3  1  0.998  0.512  0.351  1.0
  Sn  Sn4  1  0.500  0.000  0.500  1.0
  Sn  Sn5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.600  0.461  0.337  1.0
  O  O7  1  0.900  0.461  0.837  1.0
  O  O8  1  0.400  0.539  0.663  1.0
  O  O9  1  0.100  0.539  0.163  1.0
  O  O10  1  0.801  0.726  0.467  1.0
  O  O11  1  0.699  0.726  0.967  1.0
  O  O12  1  0.199  0.274  0.533  1.0
  O  O13  1  0.301  0.274  0.033  1.0
  O  O14  1  0.297  0.785  0.370  1.0
  O  O15  1  0.203  0.785  0.870  1.0
  O  O16  1  0.703  0.215  0.630  1.0
  O  O17  1  0.797  0.215  0.130  1.0
[/CIF]
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