The compound described by Na4SnO4 crystallizes in the triclinic P-1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form distorted NaO4 tetrahedra that share corners with two equivalent Na(2)O5 square pyramids, corners with two equivalent Na(3)O5 square pyramids, corners with four equivalent Na(4)O4 tetrahedra, corners with four equivalent Sn(1)O4 tetrahedra, and edges with two equivalent Na(1)O4 tetrahedra. 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 NaO5 square pyramids that share corners with three equivalent Na(3)O5 square pyramids,  a cornercorner with one Na(4)O4 tetrahedra, corners with two equivalent Na(1)O4 tetrahedra, corners with three equivalent Sn(1)O4 tetrahedra, edges with two equivalent Na(2)O5 square pyramids, edges with three equivalent Na(3)O5 square pyramids,  an edgeedge with one Sn(1)O4 tetrahedra, and edges with two equivalent Na(4)O4 tetrahedra. In the third Na site, Na(3) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO5 square pyramids that share corners with three equivalent Na(2)O5 square pyramids,  a cornercorner with one Sn(1)O4 tetrahedra, corners with two equivalent Na(1)O4 tetrahedra, corners with three equivalent Na(4)O4 tetrahedra, edges with two equivalent Na(3)O5 square pyramids, edges with three equivalent Na(2)O5 square pyramids,  an edgeedge with one Na(4)O4 tetrahedra, and edges with two equivalent Sn(1)O4 tetrahedra. In the fourth Na site, Na(4) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted NaO4 tetrahedra that share  a cornercorner with one Na(2)O5 square pyramid, corners with three equivalent Na(3)O5 square pyramids, corners with four equivalent Na(1)O4 tetrahedra, corners with four equivalent Sn(1)O4 tetrahedra,  an edgeedge with one Na(3)O5 square pyramid, and edges with two equivalent Na(2)O5 square pyramids. Sn(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SnO4 tetrahedra that share  a cornercorner with one Na(3)O5 square pyramid, corners with three equivalent Na(2)O5 square pyramids, corners with four equivalent Na(1)O4 tetrahedra, corners with four equivalent Na(4)O4 tetrahedra,  an edgeedge with one Na(2)O5 square pyramid, and edges with two equivalent Na(3)O5 square pyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), one Na(3), one Na(4), two equivalent Na(1), and one Sn(1) atom to form ONa5Sn octahedra that share corners with two equivalent O(2)Na5Sn octahedra, corners with six equivalent O(4)Na3Sn tetrahedra,  an edgeedge with one O(1)Na5Sn octahedra, edges with two equivalent O(2)Na5Sn octahedra, and edges with three equivalent O(3)Na5Sn octahedra. The corner-sharing octahedral tilt angles range from 9-13°. In the second O site, O(2) is bonded to one Na(4), two equivalent Na(2), two equivalent Na(3), and one Sn(1) atom to form ONa5Sn octahedra that share corners with two equivalent O(1)Na5Sn octahedra, corners with two equivalent O(3)Na5Sn octahedra, corners with two equivalent O(4)Na3Sn tetrahedra, edges with two equivalent O(1)Na5Sn octahedra, edges with two equivalent O(2)Na5Sn octahedra, and edges with four equivalent O(3)Na5Sn octahedra. The corner-sharing octahedral tilt angles range from 9-24°. In the third O site, O(3) is bonded to one Na(4), two equivalent Na(2), two equivalent Na(3), and one Sn(1) atom to form distorted ONa5Sn octahedra that share corners with two equivalent O(2)Na5Sn octahedra, corners with two equivalent O(4)Na3Sn tetrahedra, edges with two equivalent O(3)Na5Sn octahedra, edges with three equivalent O(1)Na5Sn octahedra, and edges with four equivalent O(2)Na5Sn octahedra. The corner-sharing octahedral tilt angles range from 11-24°. In the fourth O site, O(4) is bonded to one Na(4), two equivalent Na(1), and one Sn(1) atom to form ONa3Sn tetrahedra that share corners with two equivalent O(2)Na5Sn octahedra, corners with two equivalent O(3)Na5Sn octahedra, corners with six equivalent O(1)Na5Sn octahedra, and  an edgeedge with one O(4)Na3Sn tetrahedra. The corner-sharing octahedral tilt angles range from 55-66°. is represented by the CIF card [CIF]
data_Na4SnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.850
_cell_length_b   5.861
_cell_length_c   8.803
_cell_angle_alpha   82.280
_cell_angle_beta   71.126
_cell_angle_gamma   68.531
_symmetry_Int_Tables_number   1
_cell_volume   265.745
_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  0.255  0.243  0.008  1.0
  Na  Na1  1  0.745  0.757  0.992  1.0
  Na  Na2  1  0.019  0.264  0.436  1.0
  Na  Na3  1  0.981  0.736  0.564  1.0
  Na  Na4  1  0.436  0.249  0.596  1.0
  Na  Na5  1  0.564  0.751  0.404  1.0
  Na  Na6  1  0.112  0.720  0.196  1.0
  Na  Na7  1  0.888  0.280  0.804  1.0
  Sn  Sn8  1  0.341  0.722  0.765  1.0
  Sn  Sn9  1  0.659  0.278  0.235  1.0
  O  O10  1  0.124  0.516  0.805  1.0
  O  O11  1  0.876  0.484  0.195  1.0
  O  O12  1  0.799  0.013  0.380  1.0
  O  O13  1  0.201  0.987  0.620  1.0
  O  O14  1  0.321  0.479  0.373  1.0
  O  O15  1  0.679  0.521  0.627  1.0
  O  O16  1  0.350  0.841  0.959  1.0
  O  O17  1  0.650  0.159  0.041  1.0
[/CIF]
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The compound described by Na4SnO4 crystallizes in the triclinic P-1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form distorted NaO4 tetrahedra that share corners with two equivalent Na(2)O5 square pyramids, corners with two equivalent Na(3)O5 square pyramids, corners with four equivalent Na(4)O4 tetrahedra, corners with four equivalent Sn(1)O4 tetrahedra, and edges with two equivalent Na(1)O4 tetrahedra. 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 NaO5 square pyramids that share corners with three equivalent Na(3)O5 square pyramids,  a cornercorner with one Na(4)O4 tetrahedra, corners with two equivalent Na(1)O4 tetrahedra, corners with three equivalent Sn(1)O4 tetrahedra, edges with two equivalent Na(2)O5 square pyramids, edges with three equivalent Na(3)O5 square pyramids,  an edgeedge with one Sn(1)O4 tetrahedra, and edges with two equivalent Na(4)O4 tetrahedra. In the third Na site, Na(3) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO5 square pyramids that share corners with three equivalent Na(2)O5 square pyramids,  a cornercorner with one Sn(1)O4 tetrahedra, corners with two equivalent Na(1)O4 tetrahedra, corners with three equivalent Na(4)O4 tetrahedra, edges with two equivalent Na(3)O5 square pyramids, edges with three equivalent Na(2)O5 square pyramids,  an edgeedge with one Na(4)O4 tetrahedra, and edges with two equivalent Sn(1)O4 tetrahedra. In the fourth Na site, Na(4) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted NaO4 tetrahedra that share  a cornercorner with one Na(2)O5 square pyramid, corners with three equivalent Na(3)O5 square pyramids, corners with four equivalent Na(1)O4 tetrahedra, corners with four equivalent Sn(1)O4 tetrahedra,  an edgeedge with one Na(3)O5 square pyramid, and edges with two equivalent Na(2)O5 square pyramids. Sn(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SnO4 tetrahedra that share  a cornercorner with one Na(3)O5 square pyramid, corners with three equivalent Na(2)O5 square pyramids, corners with four equivalent Na(1)O4 tetrahedra, corners with four equivalent Na(4)O4 tetrahedra,  an edgeedge with one Na(2)O5 square pyramid, and edges with two equivalent Na(3)O5 square pyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), one Na(3), one Na(4), two equivalent Na(1), and one Sn(1) atom to form ONa5Sn octahedra that share corners with two equivalent O(2)Na5Sn octahedra, corners with six equivalent O(4)Na3Sn tetrahedra,  an edgeedge with one O(1)Na5Sn octahedra, edges with two equivalent O(2)Na5Sn octahedra, and edges with three equivalent O(3)Na5Sn octahedra. The corner-sharing octahedral tilt angles range from 9-13°. In the second O site, O(2) is bonded to one Na(4), two equivalent Na(2), two equivalent Na(3), and one Sn(1) atom to form ONa5Sn octahedra that share corners with two equivalent O(1)Na5Sn octahedra, corners with two equivalent O(3)Na5Sn octahedra, corners with two equivalent O(4)Na3Sn tetrahedra, edges with two equivalent O(1)Na5Sn octahedra, edges with two equivalent O(2)Na5Sn octahedra, and edges with four equivalent O(3)Na5Sn octahedra. The corner-sharing octahedral tilt angles range from 9-24°. In the third O site, O(3) is bonded to one Na(4), two equivalent Na(2), two equivalent Na(3), and one Sn(1) atom to form distorted ONa5Sn octahedra that share corners with two equivalent O(2)Na5Sn octahedra, corners with two equivalent O(4)Na3Sn tetrahedra, edges with two equivalent O(3)Na5Sn octahedra, edges with three equivalent O(1)Na5Sn octahedra, and edges with four equivalent O(2)Na5Sn octahedra. The corner-sharing octahedral tilt angles range from 11-24°. In the fourth O site, O(4) is bonded to one Na(4), two equivalent Na(1), and one Sn(1) atom to form ONa3Sn tetrahedra that share corners with two equivalent O(2)Na5Sn octahedra, corners with two equivalent O(3)Na5Sn octahedra, corners with six equivalent O(1)Na5Sn octahedra, and  an edgeedge with one O(4)Na3Sn tetrahedra. The corner-sharing octahedral tilt angles range from 55-66°. is represented by the CIF card [CIF]
data_Na4SnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.850
_cell_length_b   5.861
_cell_length_c   8.803
_cell_angle_alpha   82.280
_cell_angle_beta   71.126
_cell_angle_gamma   68.531
_symmetry_Int_Tables_number   1
_cell_volume   265.745
_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  0.255  0.243  0.008  1.0
  Na  Na1  1  0.745  0.757  0.992  1.0
  Na  Na2  1  0.019  0.264  0.436  1.0
  Na  Na3  1  0.981  0.736  0.564  1.0
  Na  Na4  1  0.436  0.249  0.596  1.0
  Na  Na5  1  0.564  0.751  0.404  1.0
  Na  Na6  1  0.112  0.720  0.196  1.0
  Na  Na7  1  0.888  0.280  0.804  1.0
  Sn  Sn8  1  0.341  0.722  0.765  1.0
  Sn  Sn9  1  0.659  0.278  0.235  1.0
  O  O10  1  0.124  0.516  0.805  1.0
  O  O11  1  0.876  0.484  0.195  1.0
  O  O12  1  0.799  0.013  0.380  1.0
  O  O13  1  0.201  0.987  0.620  1.0
  O  O14  1  0.321  0.479  0.373  1.0
  O  O15  1  0.679  0.521  0.627  1.0
  O  O16  1  0.350  0.841  0.959  1.0
  O  O17  1  0.650  0.159  0.041  1.0
[/CIF]
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