The material described by NaC2N3H2O crystallizes in the hexagonal P-62c space group. Na(1) is bonded to two equivalent N(2), two equivalent N(3), and two equivalent O(1) atoms to form distorted face-sharing NaN4O2 octahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(2) and two equivalent N(1) atoms. In the second C site, C(2) is bonded in a linear geometry to one N(2) and one N(3) atom. There are three inequivalent N sites. In the first N site, N(3) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one C(2) atom. In the second N site, N(1) is bonded in a bent 120 degrees geometry to two equivalent C(1) atoms. In the third N site, N(2) is bonded to two equivalent Na(1), one C(1), and one C(2) atom to form distorted corner-sharing NNa2C2 tetrahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a water-like geometry to two equivalent Na(1), one H(1), and one H(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaH2C2N3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.303
_cell_length_b   10.303
_cell_length_c   6.598
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   606.573
_cell_formula_units_Z   6
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  0.000  0.593  0.500  1.0
  Na  Na1  1  0.000  0.593  0.000  1.0
  Na  Na2  1  0.407  0.407  0.000  1.0
  Na  Na3  1  0.407  0.407  0.500  1.0
  Na  Na4  1  0.593  0.000  0.000  1.0
  Na  Na5  1  0.593  0.000  0.500  1.0
  H  H6  1  0.170  0.813  0.750  1.0
  H  H7  1  0.305  0.782  0.750  1.0
  H  H8  1  0.218  0.523  0.750  1.0
  H  H9  1  0.187  0.357  0.750  1.0
  H  H10  1  0.477  0.695  0.750  1.0
  H  H11  1  0.643  0.830  0.750  1.0
  H  H12  1  0.357  0.187  0.250  1.0
  H  H13  1  0.523  0.218  0.250  1.0
  H  H14  1  0.695  0.477  0.250  1.0
  H  H15  1  0.830  0.643  0.250  1.0
  H  H16  1  0.782  0.305  0.250  1.0
  H  H17  1  0.813  0.170  0.250  1.0
  C  C18  1  0.062  0.914  0.250  1.0
  C  C19  1  0.264  0.877  0.250  1.0
  C  C20  1  0.123  0.386  0.250  1.0
  C  C21  1  0.086  0.148  0.250  1.0
  C  C22  1  0.148  0.086  0.750  1.0
  C  C23  1  0.614  0.736  0.250  1.0
  C  C24  1  0.386  0.123  0.750  1.0
  C  C25  1  0.852  0.938  0.250  1.0
  C  C26  1  0.736  0.614  0.750  1.0
  C  C27  1  0.938  0.852  0.750  1.0
  C  C28  1  0.877  0.264  0.750  1.0
  C  C29  1  0.914  0.062  0.750  1.0
  N  N30  1  0.089  0.935  0.750  1.0
  N  N31  1  0.119  0.820  0.250  1.0
  N  N32  1  0.081  0.475  0.250  1.0
  N  N33  1  0.394  0.919  0.250  1.0
  N  N34  1  0.065  0.154  0.750  1.0
  N  N35  1  0.180  0.299  0.250  1.0
  N  N36  1  0.154  0.065  0.250  1.0
  N  N37  1  0.299  0.180  0.750  1.0
  N  N38  1  0.525  0.606  0.250  1.0
  N  N39  1  0.701  0.881  0.250  1.0
  N  N40  1  0.606  0.525  0.750  1.0
  N  N41  1  0.846  0.911  0.750  1.0
  N  N42  1  0.475  0.081  0.750  1.0
  N  N43  1  0.911  0.846  0.250  1.0
  N  N44  1  0.881  0.701  0.750  1.0
  N  N45  1  0.919  0.394  0.750  1.0
  N  N46  1  0.820  0.119  0.750  1.0
  N  N47  1  0.935  0.089  0.250  1.0
  O  O48  1  0.196  0.730  0.750  1.0
  O  O49  1  0.270  0.465  0.750  1.0
  O  O50  1  0.535  0.804  0.750  1.0
  O  O51  1  0.465  0.270  0.250  1.0
  O  O52  1  0.804  0.535  0.250  1.0
  O  O53  1  0.730  0.196  0.250  1.0
[/CIF]
.
The material described by NaC2N3H2O crystallizes in the hexagonal P-62c space group. Na(1) is bonded to two equivalent N(2), two equivalent N(3), and two equivalent O(1) atoms to form distorted face-sharing NaN4O2 octahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(2) and two equivalent N(1) atoms. In the second C site, C(2) is bonded in a linear geometry to one N(2) and one N(3) atom. There are three inequivalent N sites. In the first N site, N(3) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one C(2) atom. In the second N site, N(1) is bonded in a bent 120 degrees geometry to two equivalent C(1) atoms. In the third N site, N(2) is bonded to two equivalent Na(1), one C(1), and one C(2) atom to form distorted corner-sharing NNa2C2 tetrahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a water-like geometry to two equivalent Na(1), one H(1), and one H(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaH2C2N3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.303
_cell_length_b   10.303
_cell_length_c   6.598
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   606.573
_cell_formula_units_Z   6
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  0.000  0.593  0.500  1.0
  Na  Na1  1  0.000  0.593  0.000  1.0
  Na  Na2  1  0.407  0.407  0.000  1.0
  Na  Na3  1  0.407  0.407  0.500  1.0
  Na  Na4  1  0.593  0.000  0.000  1.0
  Na  Na5  1  0.593  0.000  0.500  1.0
  H  H6  1  0.170  0.813  0.750  1.0
  H  H7  1  0.305  0.782  0.750  1.0
  H  H8  1  0.218  0.523  0.750  1.0
  H  H9  1  0.187  0.357  0.750  1.0
  H  H10  1  0.477  0.695  0.750  1.0
  H  H11  1  0.643  0.830  0.750  1.0
  H  H12  1  0.357  0.187  0.250  1.0
  H  H13  1  0.523  0.218  0.250  1.0
  H  H14  1  0.695  0.477  0.250  1.0
  H  H15  1  0.830  0.643  0.250  1.0
  H  H16  1  0.782  0.305  0.250  1.0
  H  H17  1  0.813  0.170  0.250  1.0
  C  C18  1  0.062  0.914  0.250  1.0
  C  C19  1  0.264  0.877  0.250  1.0
  C  C20  1  0.123  0.386  0.250  1.0
  C  C21  1  0.086  0.148  0.250  1.0
  C  C22  1  0.148  0.086  0.750  1.0
  C  C23  1  0.614  0.736  0.250  1.0
  C  C24  1  0.386  0.123  0.750  1.0
  C  C25  1  0.852  0.938  0.250  1.0
  C  C26  1  0.736  0.614  0.750  1.0
  C  C27  1  0.938  0.852  0.750  1.0
  C  C28  1  0.877  0.264  0.750  1.0
  C  C29  1  0.914  0.062  0.750  1.0
  N  N30  1  0.089  0.935  0.750  1.0
  N  N31  1  0.119  0.820  0.250  1.0
  N  N32  1  0.081  0.475  0.250  1.0
  N  N33  1  0.394  0.919  0.250  1.0
  N  N34  1  0.065  0.154  0.750  1.0
  N  N35  1  0.180  0.299  0.250  1.0
  N  N36  1  0.154  0.065  0.250  1.0
  N  N37  1  0.299  0.180  0.750  1.0
  N  N38  1  0.525  0.606  0.250  1.0
  N  N39  1  0.701  0.881  0.250  1.0
  N  N40  1  0.606  0.525  0.750  1.0
  N  N41  1  0.846  0.911  0.750  1.0
  N  N42  1  0.475  0.081  0.750  1.0
  N  N43  1  0.911  0.846  0.250  1.0
  N  N44  1  0.881  0.701  0.750  1.0
  N  N45  1  0.919  0.394  0.750  1.0
  N  N46  1  0.820  0.119  0.750  1.0
  N  N47  1  0.935  0.089  0.250  1.0
  O  O48  1  0.196  0.730  0.750  1.0
  O  O49  1  0.270  0.465  0.750  1.0
  O  O50  1  0.535  0.804  0.750  1.0
  O  O51  1  0.465  0.270  0.250  1.0
  O  O52  1  0.804  0.535  0.250  1.0
  O  O53  1  0.730  0.196  0.250  1.0
[/CIF]
.