The material described by Na2SnO6 crystallizes in the monoclinic C2/m space group. Na(1) is bonded in a 7-coordinate geometry to two equivalent O(2), two equivalent O(3), and three equivalent O(1) atoms. Sn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form edge-sharing SnO6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Na(1) and two equivalent Sn(1) atoms to form distorted ONa3Sn2 square pyramids that share corners with two equivalent O(1)Na3Sn2 square pyramids, corners with four equivalent O(2)Na2SnO tetrahedra, edges with five equivalent O(1)Na3Sn2 square pyramids, and edges with three equivalent O(2)Na2SnO tetrahedra. In the second O site, O(2) is bonded to two equivalent Na(1), one Sn(1), and one O(3) atom to form distorted ONa2SnO tetrahedra that share corners with four equivalent O(1)Na3Sn2 square pyramids, corners with three equivalent O(2)Na2SnO tetrahedra, and edges with three equivalent O(1)Na3Sn2 square pyramids. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Na(1) and one O(2) atom. is represented by the CIF card [CIF]
data_Na2SnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.850
_cell_length_b   5.850
_cell_length_c   7.453
_cell_angle_alpha   63.883
_cell_angle_beta   63.883
_cell_angle_gamma   30.775
_symmetry_Int_Tables_number   1
_cell_volume   116.105
_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
  Na  Na0  1  0.675  0.675  0.257  1.0
  Na  Na1  1  0.325  0.325  0.743  1.0
  Sn  Sn2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.636  0.636  0.945  1.0
  O  O4  1  0.018  0.018  0.690  1.0
  O  O5  1  0.143  0.143  0.537  1.0
  O  O6  1  0.364  0.364  0.055  1.0
  O  O7  1  0.982  0.982  0.310  1.0
  O  O8  1  0.857  0.857  0.463  1.0
[/CIF]
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The material described by Na2SnO6 crystallizes in the monoclinic C2/m space group. Na(1) is bonded in a 7-coordinate geometry to two equivalent O(2), two equivalent O(3), and three equivalent O(1) atoms. Sn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form edge-sharing SnO6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Na(1) and two equivalent Sn(1) atoms to form distorted ONa3Sn2 square pyramids that share corners with two equivalent O(1)Na3Sn2 square pyramids, corners with four equivalent O(2)Na2SnO tetrahedra, edges with five equivalent O(1)Na3Sn2 square pyramids, and edges with three equivalent O(2)Na2SnO tetrahedra. In the second O site, O(2) is bonded to two equivalent Na(1), one Sn(1), and one O(3) atom to form distorted ONa2SnO tetrahedra that share corners with four equivalent O(1)Na3Sn2 square pyramids, corners with three equivalent O(2)Na2SnO tetrahedra, and edges with three equivalent O(1)Na3Sn2 square pyramids. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Na(1) and one O(2) atom. is represented by the CIF card [CIF]
data_Na2SnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.850
_cell_length_b   5.850
_cell_length_c   7.453
_cell_angle_alpha   63.883
_cell_angle_beta   63.883
_cell_angle_gamma   30.775
_symmetry_Int_Tables_number   1
_cell_volume   116.105
_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
  Na  Na0  1  0.675  0.675  0.257  1.0
  Na  Na1  1  0.325  0.325  0.743  1.0
  Sn  Sn2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.636  0.636  0.945  1.0
  O  O4  1  0.018  0.018  0.690  1.0
  O  O5  1  0.143  0.143  0.537  1.0
  O  O6  1  0.364  0.364  0.055  1.0
  O  O7  1  0.982  0.982  0.310  1.0
  O  O8  1  0.857  0.857  0.463  1.0
[/CIF]
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