The crystal structure described by Na3Co(NO2)6 crystallizes in the trigonal R-3 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of corner and face-sharing NaO6 octahedra. In the second Na site, Na(2) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form a mixture of corner and face-sharing NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 50°. Co(1) is bonded in an octahedral geometry to six equivalent N(1) atoms. N(1) is bonded in a trigonal planar geometry to one Co(1), one O(1), and one O(2) atom. There are two inequivalent O sites. In the first O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one N(1) atom. In the second O site, O(1) is bonded in a 2-coordinate geometry to one Na(1), one Na(2), and one N(1) atom. is represented by the CIF file [CIF]
data_Na3Co(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.801
_cell_length_b   6.801
_cell_length_c   6.801
_cell_angle_alpha   71.440
_cell_angle_beta   71.440
_cell_angle_gamma   71.440
_symmetry_Int_Tables_number   1
_cell_volume   274.298
_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  0.736  0.736  0.736  1.0
  Na  Na1  1  0.264  0.264  0.264  1.0
  Na  Na2  1  0.500  0.500  0.500  1.0
  Co  Co3  1  0.000  0.000  0.000  1.0
  N  N4  1  0.796  0.171  0.816  1.0
  N  N5  1  0.204  0.829  0.184  1.0
  N  N6  1  0.171  0.816  0.796  1.0
  N  N7  1  0.829  0.184  0.204  1.0
  N  N8  1  0.184  0.204  0.829  1.0
  N  N9  1  0.816  0.796  0.171  1.0
  O  O10  1  0.305  0.913  0.244  1.0
  O  O11  1  0.244  0.305  0.913  1.0
  O  O12  1  0.756  0.695  0.087  1.0
  O  O13  1  0.238  0.234  0.629  1.0
  O  O14  1  0.234  0.629  0.238  1.0
  O  O15  1  0.766  0.371  0.762  1.0
  O  O16  1  0.913  0.244  0.305  1.0
  O  O17  1  0.629  0.238  0.234  1.0
  O  O18  1  0.762  0.766  0.371  1.0
  O  O19  1  0.695  0.087  0.756  1.0
  O  O20  1  0.087  0.756  0.695  1.0
  O  O21  1  0.371  0.762  0.766  1.0
[/CIF]
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The crystal structure described by Na3Co(NO2)6 crystallizes in the trigonal R-3 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of corner and face-sharing NaO6 octahedra. In the second Na site, Na(2) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form a mixture of corner and face-sharing NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 50°. Co(1) is bonded in an octahedral geometry to six equivalent N(1) atoms. N(1) is bonded in a trigonal planar geometry to one Co(1), one O(1), and one O(2) atom. There are two inequivalent O sites. In the first O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one N(1) atom. In the second O site, O(1) is bonded in a 2-coordinate geometry to one Na(1), one Na(2), and one N(1) atom. is represented by the CIF file [CIF]
data_Na3Co(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.801
_cell_length_b   6.801
_cell_length_c   6.801
_cell_angle_alpha   71.440
_cell_angle_beta   71.440
_cell_angle_gamma   71.440
_symmetry_Int_Tables_number   1
_cell_volume   274.298
_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  0.736  0.736  0.736  1.0
  Na  Na1  1  0.264  0.264  0.264  1.0
  Na  Na2  1  0.500  0.500  0.500  1.0
  Co  Co3  1  0.000  0.000  0.000  1.0
  N  N4  1  0.796  0.171  0.816  1.0
  N  N5  1  0.204  0.829  0.184  1.0
  N  N6  1  0.171  0.816  0.796  1.0
  N  N7  1  0.829  0.184  0.204  1.0
  N  N8  1  0.184  0.204  0.829  1.0
  N  N9  1  0.816  0.796  0.171  1.0
  O  O10  1  0.305  0.913  0.244  1.0
  O  O11  1  0.244  0.305  0.913  1.0
  O  O12  1  0.756  0.695  0.087  1.0
  O  O13  1  0.238  0.234  0.629  1.0
  O  O14  1  0.234  0.629  0.238  1.0
  O  O15  1  0.766  0.371  0.762  1.0
  O  O16  1  0.913  0.244  0.305  1.0
  O  O17  1  0.629  0.238  0.234  1.0
  O  O18  1  0.762  0.766  0.371  1.0
  O  O19  1  0.695  0.087  0.756  1.0
  O  O20  1  0.087  0.756  0.695  1.0
  O  O21  1  0.371  0.762  0.766  1.0
[/CIF]
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