The material structure described by Na4SnO3 crystallizes in the monoclinic Cc space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of distorted edge and corner-sharing NaO5 square pyramids. In the second Na site, Na(2) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of distorted edge and corner-sharing NaO5 square pyramids. In the third Na site, Na(3) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. In the fourth Na site, Na(4) is bonded in a distorted bent 150 degrees geometry to two equivalent O(1) atoms. Sn(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(2), one Na(3), two equivalent Na(4), and one Sn(1) atom to form a mixture of distorted edge and corner-sharing ONa5Sn octahedra. The corner-sharing octahedral tilt angles range from 7-19°. In the second O site, O(2) is bonded to one Na(3), two equivalent Na(1), two equivalent Na(2), and one Sn(1) atom to form a mixture of distorted edge and corner-sharing ONa5Sn octahedra. The corner-sharing octahedral tilt angles range from 16-25°. In the third O site, O(3) is bonded to one Na(3), two equivalent Na(1), two equivalent Na(2), and one Sn(1) atom to form a mixture of edge and corner-sharing ONa5Sn octahedra. The corner-sharing octahedral tilt angles range from 7-25°. is represented by the CIF file [CIF]
data_Na4SnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.781
_cell_length_b   5.847
_cell_length_c   8.770
_cell_angle_alpha   83.516
_cell_angle_beta   70.757
_cell_angle_gamma   69.962
_symmetry_Int_Tables_number   1
_cell_volume   262.914
_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
  Na  Na0  1  0.523  0.252  0.933  1.0
  Na  Na1  1  0.963  0.219  0.087  1.0
  Na  Na2  1  0.600  0.694  0.717  1.0
  Na  Na3  1  0.316  0.194  0.283  1.0
  Na  Na4  1  0.754  0.250  0.508  1.0
  Na  Na5  1  0.262  0.750  0.492  1.0
  Na  Na6  1  0.050  0.719  0.913  1.0
  Na  Na7  1  0.456  0.752  0.067  1.0
  Sn  Sn8  1  0.867  0.749  0.286  1.0
  Sn  Sn9  1  0.153  0.249  0.714  1.0
  O  O10  1  0.050  0.972  0.321  1.0
  O  O11  1  0.372  0.472  0.679  1.0
  O  O12  1  0.179  0.512  0.132  1.0
  O  O13  1  0.310  0.012  0.868  1.0
  O  O14  1  0.703  0.962  0.124  1.0
  O  O15  1  0.828  0.462  0.876  1.0
[/CIF]
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The material structure described by Na4SnO3 crystallizes in the monoclinic Cc space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of distorted edge and corner-sharing NaO5 square pyramids. In the second Na site, Na(2) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of distorted edge and corner-sharing NaO5 square pyramids. In the third Na site, Na(3) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. In the fourth Na site, Na(4) is bonded in a distorted bent 150 degrees geometry to two equivalent O(1) atoms. Sn(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(2), one Na(3), two equivalent Na(4), and one Sn(1) atom to form a mixture of distorted edge and corner-sharing ONa5Sn octahedra. The corner-sharing octahedral tilt angles range from 7-19°. In the second O site, O(2) is bonded to one Na(3), two equivalent Na(1), two equivalent Na(2), and one Sn(1) atom to form a mixture of distorted edge and corner-sharing ONa5Sn octahedra. The corner-sharing octahedral tilt angles range from 16-25°. In the third O site, O(3) is bonded to one Na(3), two equivalent Na(1), two equivalent Na(2), and one Sn(1) atom to form a mixture of edge and corner-sharing ONa5Sn octahedra. The corner-sharing octahedral tilt angles range from 7-25°. is represented by the CIF file [CIF]
data_Na4SnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.781
_cell_length_b   5.847
_cell_length_c   8.770
_cell_angle_alpha   83.516
_cell_angle_beta   70.757
_cell_angle_gamma   69.962
_symmetry_Int_Tables_number   1
_cell_volume   262.914
_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
  Na  Na0  1  0.523  0.252  0.933  1.0
  Na  Na1  1  0.963  0.219  0.087  1.0
  Na  Na2  1  0.600  0.694  0.717  1.0
  Na  Na3  1  0.316  0.194  0.283  1.0
  Na  Na4  1  0.754  0.250  0.508  1.0
  Na  Na5  1  0.262  0.750  0.492  1.0
  Na  Na6  1  0.050  0.719  0.913  1.0
  Na  Na7  1  0.456  0.752  0.067  1.0
  Sn  Sn8  1  0.867  0.749  0.286  1.0
  Sn  Sn9  1  0.153  0.249  0.714  1.0
  O  O10  1  0.050  0.972  0.321  1.0
  O  O11  1  0.372  0.472  0.679  1.0
  O  O12  1  0.179  0.512  0.132  1.0
  O  O13  1  0.310  0.012  0.868  1.0
  O  O14  1  0.703  0.962  0.124  1.0
  O  O15  1  0.828  0.462  0.876  1.0
[/CIF]
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