The material described by C3N4O3 is Indium-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight triuret molecules. There are three inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one O(1) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one N(2), one N(3), and one O(2) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one N(3), one N(4), and one O(3) atom. There are four inequivalent N sites. In the first N site, N(3) is bonded in a bent 120 degrees geometry to one C(2) and one C(3) atom. In the second N site, N(4) is bonded in a single-bond geometry to one C(3) atom. In the third N site, N(1) is bonded in a single-bond geometry to one C(1) atom. In the fourth N site, N(2) is bonded in a bent 120 degrees geometry to one C(1) and one C(2) atom. There are three inequivalent O sites. In the first O site, O(3) is bonded in a single-bond geometry to one C(3) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(2) atom. In the third O site, O(1) is bonded in a single-bond geometry to one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_C3N4O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.176
_cell_length_b   5.176
_cell_length_c   22.664
_cell_angle_alpha   83.702
_cell_angle_beta   83.702
_cell_angle_gamma   88.768
_symmetry_Int_Tables_number   1
_cell_volume   599.909
_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
  C  C0  1  0.495  0.670  0.567  1.0
  C  C1  1  0.330  0.505  0.933  1.0
  C  C2  1  0.505  0.330  0.433  1.0
  C  C3  1  0.670  0.495  0.067  1.0
  C  C4  1  0.680  0.304  0.626  1.0
  C  C5  1  0.696  0.320  0.874  1.0
  C  C6  1  0.320  0.696  0.374  1.0
  C  C7  1  0.304  0.680  0.126  1.0
  C  C8  1  0.725  0.948  0.704  1.0
  C  C9  1  0.052  0.275  0.796  1.0
  C  C10  1  0.275  0.052  0.296  1.0
  C  C11  1  0.948  0.725  0.204  1.0
  N  N12  1  0.735  0.727  0.533  1.0
  N  N13  1  0.273  0.265  0.967  1.0
  N  N14  1  0.265  0.273  0.467  1.0
  N  N15  1  0.727  0.735  0.033  1.0
  N  N16  1  0.485  0.470  0.610  1.0
  N  N17  1  0.530  0.515  0.890  1.0
  N  N18  1  0.515  0.530  0.390  1.0
  N  N19  1  0.470  0.485  0.110  1.0
  N  N20  1  0.599  0.138  0.675  1.0
  N  N21  1  0.862  0.401  0.825  1.0
  N  N22  1  0.401  0.862  0.325  1.0
  N  N23  1  0.138  0.599  0.175  1.0
  N  N24  1  0.952  0.837  0.682  1.0
  N  N25  1  0.163  0.048  0.818  1.0
  N  N26  1  0.048  0.163  0.318  1.0
  N  N27  1  0.837  0.952  0.182  1.0
  O  O28  1  0.307  0.817  0.554  1.0
  O  O29  1  0.183  0.693  0.946  1.0
  O  O30  1  0.693  0.183  0.446  1.0
  O  O31  1  0.817  0.307  0.054  1.0
  O  O32  1  0.904  0.302  0.599  1.0
  O  O33  1  0.698  0.096  0.901  1.0
  O  O34  1  0.096  0.698  0.401  1.0
  O  O35  1  0.302  0.904  0.099  1.0
  O  O36  1  0.649  0.835  0.755  1.0
  O  O37  1  0.165  0.351  0.745  1.0
  O  O38  1  0.351  0.165  0.245  1.0
  O  O39  1  0.835  0.649  0.255  1.0
[/CIF]
.
The material described by C3N4O3 is Indium-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight triuret molecules. There are three inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one O(1) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one N(2), one N(3), and one O(2) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one N(3), one N(4), and one O(3) atom. There are four inequivalent N sites. In the first N site, N(3) is bonded in a bent 120 degrees geometry to one C(2) and one C(3) atom. In the second N site, N(4) is bonded in a single-bond geometry to one C(3) atom. In the third N site, N(1) is bonded in a single-bond geometry to one C(1) atom. In the fourth N site, N(2) is bonded in a bent 120 degrees geometry to one C(1) and one C(2) atom. There are three inequivalent O sites. In the first O site, O(3) is bonded in a single-bond geometry to one C(3) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(2) atom. In the third O site, O(1) is bonded in a single-bond geometry to one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_C3N4O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.176
_cell_length_b   5.176
_cell_length_c   22.664
_cell_angle_alpha   83.702
_cell_angle_beta   83.702
_cell_angle_gamma   88.768
_symmetry_Int_Tables_number   1
_cell_volume   599.909
_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
  C  C0  1  0.495  0.670  0.567  1.0
  C  C1  1  0.330  0.505  0.933  1.0
  C  C2  1  0.505  0.330  0.433  1.0
  C  C3  1  0.670  0.495  0.067  1.0
  C  C4  1  0.680  0.304  0.626  1.0
  C  C5  1  0.696  0.320  0.874  1.0
  C  C6  1  0.320  0.696  0.374  1.0
  C  C7  1  0.304  0.680  0.126  1.0
  C  C8  1  0.725  0.948  0.704  1.0
  C  C9  1  0.052  0.275  0.796  1.0
  C  C10  1  0.275  0.052  0.296  1.0
  C  C11  1  0.948  0.725  0.204  1.0
  N  N12  1  0.735  0.727  0.533  1.0
  N  N13  1  0.273  0.265  0.967  1.0
  N  N14  1  0.265  0.273  0.467  1.0
  N  N15  1  0.727  0.735  0.033  1.0
  N  N16  1  0.485  0.470  0.610  1.0
  N  N17  1  0.530  0.515  0.890  1.0
  N  N18  1  0.515  0.530  0.390  1.0
  N  N19  1  0.470  0.485  0.110  1.0
  N  N20  1  0.599  0.138  0.675  1.0
  N  N21  1  0.862  0.401  0.825  1.0
  N  N22  1  0.401  0.862  0.325  1.0
  N  N23  1  0.138  0.599  0.175  1.0
  N  N24  1  0.952  0.837  0.682  1.0
  N  N25  1  0.163  0.048  0.818  1.0
  N  N26  1  0.048  0.163  0.318  1.0
  N  N27  1  0.837  0.952  0.182  1.0
  O  O28  1  0.307  0.817  0.554  1.0
  O  O29  1  0.183  0.693  0.946  1.0
  O  O30  1  0.693  0.183  0.446  1.0
  O  O31  1  0.817  0.307  0.054  1.0
  O  O32  1  0.904  0.302  0.599  1.0
  O  O33  1  0.698  0.096  0.901  1.0
  O  O34  1  0.096  0.698  0.401  1.0
  O  O35  1  0.302  0.904  0.099  1.0
  O  O36  1  0.649  0.835  0.755  1.0
  O  O37  1  0.165  0.351  0.745  1.0
  O  O38  1  0.351  0.165  0.245  1.0
  O  O39  1  0.835  0.649  0.255  1.0
[/CIF]
.