The material structure described by NaSrNb2O6 crystallizes in the orthorhombic Cmmm space group. Na(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(3) atoms. Sr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Nb(1)O6 octahedra. Nb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NbO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-15°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Na(1), two equivalent Sr(1), and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Na(1), two equivalent Sr(1), and two equivalent Nb(1) atoms. is represented by the CIF file [CIF]
data_NaSrNb2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.701
_cell_length_b   5.701
_cell_length_c   4.062
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.027
_symmetry_Int_Tables_number   1
_cell_volume   132.050
_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  0.500  0.500  0.500  1.0
  Sr  Sr1  1  0.000  0.000  0.500  1.0
  Nb  Nb2  1  0.500  0.000  0.000  1.0
  Nb  Nb3  1  0.000  0.500  0.000  1.0
  O  O4  1  0.218  0.782  0.000  1.0
  O  O5  1  0.782  0.218  0.000  1.0
  O  O6  1  0.728  0.728  0.000  1.0
  O  O7  1  0.272  0.272  0.000  1.0
  O  O8  1  0.500  0.000  0.500  1.0
  O  O9  1  0.000  0.500  0.500  1.0
[/CIF]
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The material structure described by NaSrNb2O6 crystallizes in the orthorhombic Cmmm space group. Na(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(3) atoms. Sr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Nb(1)O6 octahedra. Nb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NbO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-15°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Na(1), two equivalent Sr(1), and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Na(1), two equivalent Sr(1), and two equivalent Nb(1) atoms. is represented by the CIF file [CIF]
data_NaSrNb2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.701
_cell_length_b   5.701
_cell_length_c   4.062
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.027
_symmetry_Int_Tables_number   1
_cell_volume   132.050
_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  0.500  0.500  0.500  1.0
  Sr  Sr1  1  0.000  0.000  0.500  1.0
  Nb  Nb2  1  0.500  0.000  0.000  1.0
  Nb  Nb3  1  0.000  0.500  0.000  1.0
  O  O4  1  0.218  0.782  0.000  1.0
  O  O5  1  0.782  0.218  0.000  1.0
  O  O6  1  0.728  0.728  0.000  1.0
  O  O7  1  0.272  0.272  0.000  1.0
  O  O8  1  0.500  0.000  0.500  1.0
  O  O9  1  0.000  0.500  0.500  1.0
[/CIF]
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