The material described by NaSb3O8 crystallizes in the orthorhombic Ibam space group. Na(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(3) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(2), two equivalent O(3), and four equivalent O(1) atoms to form distorted SbO7 trigonal bipyramids that share corners with two equivalent Sb(2)O8 hexagonal bipyramids, corners with two equivalent Sb(1)O7 trigonal bipyramids, edges with two equivalent Sb(2)O8 hexagonal bipyramids, and edges with two equivalent Sb(1)O7 trigonal bipyramids. In the second Sb site, Sb(2) is bonded to four equivalent O(1) and four equivalent O(2) atoms to form distorted SbO8 hexagonal bipyramids that share corners with four equivalent Sb(1)O7 trigonal bipyramids, edges with two equivalent Sb(2)O8 hexagonal bipyramids, and edges with four equivalent Sb(1)O7 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one Sb(2), and two equivalent Sb(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Sb(1) and two equivalent Sb(2) atoms. In the third O site, O(3) is bonded to two equivalent Na(1) and two equivalent Sb(1) atoms to form a mixture of distorted edge and corner-sharing ONa2Sb2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaSb3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.344
_cell_length_b   7.344
_cell_length_c   7.344
_cell_angle_alpha   121.437
_cell_angle_beta   118.713
_cell_angle_gamma   89.886
_symmetry_Int_Tables_number   1
_cell_volume   279.548
_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  0.750  0.000  0.750  1.0
  Na  Na1  1  0.250  0.000  0.250  1.0
  Sb  Sb2  1  0.253  0.014  0.761  1.0
  Sb  Sb3  1  0.247  0.508  0.261  1.0
  Sb  Sb4  1  0.250  0.500  0.750  1.0
  Sb  Sb5  1  0.750  0.500  0.250  1.0
  Sb  Sb6  1  0.753  0.492  0.739  1.0
  Sb  Sb7  1  0.747  0.986  0.239  1.0
  O  O8  1  0.068  0.161  0.503  1.0
  O  O9  1  0.658  0.161  0.093  1.0
  O  O10  1  0.432  0.435  0.593  1.0
  O  O11  1  0.842  0.435  0.003  1.0
  O  O12  1  0.423  0.308  0.884  1.0
  O  O13  1  0.077  0.461  0.384  1.0
  O  O14  1  0.664  0.152  0.488  1.0
  O  O15  1  0.836  0.825  0.988  1.0
  O  O16  1  0.164  0.175  0.012  1.0
  O  O17  1  0.336  0.848  0.512  1.0
  O  O18  1  0.923  0.539  0.616  1.0
  O  O19  1  0.577  0.692  0.116  1.0
  O  O20  1  0.158  0.565  0.997  1.0
  O  O21  1  0.342  0.839  0.907  1.0
  O  O22  1  0.568  0.565  0.407  1.0
  O  O23  1  0.932  0.839  0.497  1.0
[/CIF]
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The material described by NaSb3O8 crystallizes in the orthorhombic Ibam space group. Na(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(3) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(2), two equivalent O(3), and four equivalent O(1) atoms to form distorted SbO7 trigonal bipyramids that share corners with two equivalent Sb(2)O8 hexagonal bipyramids, corners with two equivalent Sb(1)O7 trigonal bipyramids, edges with two equivalent Sb(2)O8 hexagonal bipyramids, and edges with two equivalent Sb(1)O7 trigonal bipyramids. In the second Sb site, Sb(2) is bonded to four equivalent O(1) and four equivalent O(2) atoms to form distorted SbO8 hexagonal bipyramids that share corners with four equivalent Sb(1)O7 trigonal bipyramids, edges with two equivalent Sb(2)O8 hexagonal bipyramids, and edges with four equivalent Sb(1)O7 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one Sb(2), and two equivalent Sb(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Sb(1) and two equivalent Sb(2) atoms. In the third O site, O(3) is bonded to two equivalent Na(1) and two equivalent Sb(1) atoms to form a mixture of distorted edge and corner-sharing ONa2Sb2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaSb3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.344
_cell_length_b   7.344
_cell_length_c   7.344
_cell_angle_alpha   121.437
_cell_angle_beta   118.713
_cell_angle_gamma   89.886
_symmetry_Int_Tables_number   1
_cell_volume   279.548
_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  0.750  0.000  0.750  1.0
  Na  Na1  1  0.250  0.000  0.250  1.0
  Sb  Sb2  1  0.253  0.014  0.761  1.0
  Sb  Sb3  1  0.247  0.508  0.261  1.0
  Sb  Sb4  1  0.250  0.500  0.750  1.0
  Sb  Sb5  1  0.750  0.500  0.250  1.0
  Sb  Sb6  1  0.753  0.492  0.739  1.0
  Sb  Sb7  1  0.747  0.986  0.239  1.0
  O  O8  1  0.068  0.161  0.503  1.0
  O  O9  1  0.658  0.161  0.093  1.0
  O  O10  1  0.432  0.435  0.593  1.0
  O  O11  1  0.842  0.435  0.003  1.0
  O  O12  1  0.423  0.308  0.884  1.0
  O  O13  1  0.077  0.461  0.384  1.0
  O  O14  1  0.664  0.152  0.488  1.0
  O  O15  1  0.836  0.825  0.988  1.0
  O  O16  1  0.164  0.175  0.012  1.0
  O  O17  1  0.336  0.848  0.512  1.0
  O  O18  1  0.923  0.539  0.616  1.0
  O  O19  1  0.577  0.692  0.116  1.0
  O  O20  1  0.158  0.565  0.997  1.0
  O  O21  1  0.342  0.839  0.907  1.0
  O  O22  1  0.568  0.565  0.407  1.0
  O  O23  1  0.932  0.839  0.497  1.0
[/CIF]
.