The structure described by La2C2N4O crystallizes in the monoclinic C2/c space group. La(1) is bonded in a 8-coordinate geometry to three equivalent N(1), three equivalent N(2), and two equivalent O(1) atoms. C(1) is bonded in a linear geometry to one N(1) and one N(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted single-bond geometry to three equivalent La(1) and one C(1) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to three equivalent La(1) and one C(1) atom. O(1) is bonded to four equivalent La(1) atoms to form edge-sharing OLa4 tetrahedra. is represented by the CIF card [CIF]
data_La2C2N4O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.480
_cell_length_b   7.480
_cell_length_c   6.141
_cell_angle_alpha   76.643
_cell_angle_beta   76.643
_cell_angle_gamma   49.647
_symmetry_Int_Tables_number   1
_cell_volume   253.214
_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
  La  La0  1  0.315  0.885  0.425  1.0
  La  La1  1  0.115  0.685  0.075  1.0
  La  La2  1  0.685  0.115  0.575  1.0
  La  La3  1  0.885  0.315  0.925  1.0
  C  C4  1  0.879  0.426  0.389  1.0
  C  C5  1  0.426  0.879  0.889  1.0
  C  C6  1  0.574  0.121  0.111  1.0
  C  C7  1  0.121  0.574  0.611  1.0
  N  N8  1  0.475  0.709  0.031  1.0
  N  N9  1  0.525  0.291  0.969  1.0
  N  N10  1  0.950  0.633  0.754  1.0
  N  N11  1  0.709  0.475  0.531  1.0
  N  N12  1  0.050  0.367  0.246  1.0
  N  N13  1  0.367  0.050  0.746  1.0
  N  N14  1  0.291  0.525  0.469  1.0
  N  N15  1  0.633  0.950  0.254  1.0
  O  O16  1  0.026  0.974  0.750  1.0
  O  O17  1  0.974  0.026  0.250  1.0
[/CIF]
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The structure described by La2C2N4O crystallizes in the monoclinic C2/c space group. La(1) is bonded in a 8-coordinate geometry to three equivalent N(1), three equivalent N(2), and two equivalent O(1) atoms. C(1) is bonded in a linear geometry to one N(1) and one N(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted single-bond geometry to three equivalent La(1) and one C(1) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to three equivalent La(1) and one C(1) atom. O(1) is bonded to four equivalent La(1) atoms to form edge-sharing OLa4 tetrahedra. is represented by the CIF card [CIF]
data_La2C2N4O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.480
_cell_length_b   7.480
_cell_length_c   6.141
_cell_angle_alpha   76.643
_cell_angle_beta   76.643
_cell_angle_gamma   49.647
_symmetry_Int_Tables_number   1
_cell_volume   253.214
_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
  La  La0  1  0.315  0.885  0.425  1.0
  La  La1  1  0.115  0.685  0.075  1.0
  La  La2  1  0.685  0.115  0.575  1.0
  La  La3  1  0.885  0.315  0.925  1.0
  C  C4  1  0.879  0.426  0.389  1.0
  C  C5  1  0.426  0.879  0.889  1.0
  C  C6  1  0.574  0.121  0.111  1.0
  C  C7  1  0.121  0.574  0.611  1.0
  N  N8  1  0.475  0.709  0.031  1.0
  N  N9  1  0.525  0.291  0.969  1.0
  N  N10  1  0.950  0.633  0.754  1.0
  N  N11  1  0.709  0.475  0.531  1.0
  N  N12  1  0.050  0.367  0.246  1.0
  N  N13  1  0.367  0.050  0.746  1.0
  N  N14  1  0.291  0.525  0.469  1.0
  N  N15  1  0.633  0.950  0.254  1.0
  O  O16  1  0.026  0.974  0.750  1.0
  O  O17  1  0.974  0.026  0.250  1.0
[/CIF]
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