The compound described by NaSr3NbO6 crystallizes in the trigonal R-3c space group. Na(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Sr(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Nb(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. O(1) is bonded in a 6-coordinate geometry to one Na(1), four equivalent Sr(1), and one Nb(1) atom. is represented by the CIF card [CIF]
data_NaSr3NbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.920
_cell_length_b   6.920
_cell_length_c   6.920
_cell_angle_alpha   91.242
_cell_angle_beta   91.242
_cell_angle_gamma   91.242
_symmetry_Int_Tables_number   1
_cell_volume   331.128
_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  0.750  0.750  1.0
  Na  Na1  1  0.250  0.250  0.250  1.0
  Sr  Sr2  1  0.750  0.101  0.399  1.0
  Sr  Sr3  1  0.399  0.750  0.101  1.0
  Sr  Sr4  1  0.101  0.399  0.750  1.0
  Sr  Sr5  1  0.250  0.899  0.601  1.0
  Sr  Sr6  1  0.601  0.250  0.899  1.0
  Sr  Sr7  1  0.899  0.601  0.250  1.0
  Nb  Nb8  1  0.000  0.000  0.000  1.0
  Nb  Nb9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.928  0.054  0.719  1.0
  O  O11  1  0.719  0.928  0.054  1.0
  O  O12  1  0.054  0.719  0.928  1.0
  O  O13  1  0.572  0.781  0.446  1.0
  O  O14  1  0.446  0.572  0.781  1.0
  O  O15  1  0.781  0.446  0.572  1.0
  O  O16  1  0.072  0.946  0.281  1.0
  O  O17  1  0.281  0.072  0.946  1.0
  O  O18  1  0.946  0.281  0.072  1.0
  O  O19  1  0.428  0.219  0.554  1.0
  O  O20  1  0.219  0.554  0.428  1.0
  O  O21  1  0.554  0.428  0.219  1.0
[/CIF]
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The compound described by NaSr3NbO6 crystallizes in the trigonal R-3c space group. Na(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Sr(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Nb(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. O(1) is bonded in a 6-coordinate geometry to one Na(1), four equivalent Sr(1), and one Nb(1) atom. is represented by the CIF card [CIF]
data_NaSr3NbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.920
_cell_length_b   6.920
_cell_length_c   6.920
_cell_angle_alpha   91.242
_cell_angle_beta   91.242
_cell_angle_gamma   91.242
_symmetry_Int_Tables_number   1
_cell_volume   331.128
_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  0.750  0.750  1.0
  Na  Na1  1  0.250  0.250  0.250  1.0
  Sr  Sr2  1  0.750  0.101  0.399  1.0
  Sr  Sr3  1  0.399  0.750  0.101  1.0
  Sr  Sr4  1  0.101  0.399  0.750  1.0
  Sr  Sr5  1  0.250  0.899  0.601  1.0
  Sr  Sr6  1  0.601  0.250  0.899  1.0
  Sr  Sr7  1  0.899  0.601  0.250  1.0
  Nb  Nb8  1  0.000  0.000  0.000  1.0
  Nb  Nb9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.928  0.054  0.719  1.0
  O  O11  1  0.719  0.928  0.054  1.0
  O  O12  1  0.054  0.719  0.928  1.0
  O  O13  1  0.572  0.781  0.446  1.0
  O  O14  1  0.446  0.572  0.781  1.0
  O  O15  1  0.781  0.446  0.572  1.0
  O  O16  1  0.072  0.946  0.281  1.0
  O  O17  1  0.281  0.072  0.946  1.0
  O  O18  1  0.946  0.281  0.072  1.0
  O  O19  1  0.428  0.219  0.554  1.0
  O  O20  1  0.219  0.554  0.428  1.0
  O  O21  1  0.554  0.428  0.219  1.0
[/CIF]
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