The crystal structure described by Na(CO)2 is Ullmanite-like structured and crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing NaO6 octahedra. The corner-sharing octahedral tilt angles range from 61-70°. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one O(2) atom. In the second C site, C(2) is bonded in a distorted single-bond geometry to one O(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Na(1) and one C(2) atom. In the second O site, O(2) is bonded to three equivalent Na(1) and one C(1) atom to form a mixture of distorted corner and edge-sharing ONa3C trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na(CO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.906
_cell_length_b   3.562
_cell_length_c   10.471
_cell_angle_alpha   87.856
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   257.401
_cell_formula_units_Z   4
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  0.558  0.294  0.849  1.0
  Na  Na1  1  0.442  0.706  0.151  1.0
  Na  Na2  1  0.942  0.294  0.349  1.0
  Na  Na3  1  0.058  0.706  0.651  1.0
  C  C4  1  0.859  0.893  0.999  1.0
  C  C5  1  0.483  0.902  0.595  1.0
  C  C6  1  0.141  0.107  0.001  1.0
  C  C7  1  0.359  0.107  0.501  1.0
  C  C8  1  0.983  0.098  0.905  1.0
  C  C9  1  0.517  0.098  0.405  1.0
  C  C10  1  0.641  0.893  0.499  1.0
  C  C11  1  0.017  0.902  0.095  1.0
  O  O12  1  0.955  0.213  0.791  1.0
  O  O13  1  0.045  0.787  0.209  1.0
  O  O14  1  0.312  0.231  0.006  1.0
  O  O15  1  0.545  0.213  0.291  1.0
  O  O16  1  0.455  0.787  0.709  1.0
  O  O17  1  0.812  0.769  0.494  1.0
  O  O18  1  0.188  0.231  0.506  1.0
  O  O19  1  0.688  0.769  0.994  1.0
[/CIF]
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The crystal structure described by Na(CO)2 is Ullmanite-like structured and crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing NaO6 octahedra. The corner-sharing octahedral tilt angles range from 61-70°. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one O(2) atom. In the second C site, C(2) is bonded in a distorted single-bond geometry to one O(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Na(1) and one C(2) atom. In the second O site, O(2) is bonded to three equivalent Na(1) and one C(1) atom to form a mixture of distorted corner and edge-sharing ONa3C trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na(CO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.906
_cell_length_b   3.562
_cell_length_c   10.471
_cell_angle_alpha   87.856
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   257.401
_cell_formula_units_Z   4
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  0.558  0.294  0.849  1.0
  Na  Na1  1  0.442  0.706  0.151  1.0
  Na  Na2  1  0.942  0.294  0.349  1.0
  Na  Na3  1  0.058  0.706  0.651  1.0
  C  C4  1  0.859  0.893  0.999  1.0
  C  C5  1  0.483  0.902  0.595  1.0
  C  C6  1  0.141  0.107  0.001  1.0
  C  C7  1  0.359  0.107  0.501  1.0
  C  C8  1  0.983  0.098  0.905  1.0
  C  C9  1  0.517  0.098  0.405  1.0
  C  C10  1  0.641  0.893  0.499  1.0
  C  C11  1  0.017  0.902  0.095  1.0
  O  O12  1  0.955  0.213  0.791  1.0
  O  O13  1  0.045  0.787  0.209  1.0
  O  O14  1  0.312  0.231  0.006  1.0
  O  O15  1  0.545  0.213  0.291  1.0
  O  O16  1  0.455  0.787  0.709  1.0
  O  O17  1  0.812  0.769  0.494  1.0
  O  O18  1  0.188  0.231  0.506  1.0
  O  O19  1  0.688  0.769  0.994  1.0
[/CIF]
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