The material structure described by KC2N3 crystallizes in the orthorhombic Pbcm space group. K(1) is bonded in a 8-coordinate geometry to two equivalent N(2), two equivalent N(3), and four equivalent N(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one N(2) and one N(3) atom. In the second C site, C(2) is bonded in a linear geometry to one N(1) and one N(3) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted single-bond geometry to four equivalent K(1) and one C(2) atom. In the second N site, N(2) is bonded in a 3-coordinate geometry to two equivalent K(1) and one C(1) atom. In the third N site, N(3) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one C(1), and one C(2) atom. is represented by the CIF file [CIF]
data_KC2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.633
_cell_length_b   7.432
_cell_length_c   8.444
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   416.208
_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
  K  K0  1  0.750  0.500  0.318  1.0
  K  K1  1  0.750  0.000  0.318  1.0
  K  K2  1  0.250  0.500  0.682  1.0
  K  K3  1  0.250  0.000  0.682  1.0
  C  C4  1  0.143  0.250  0.063  1.0
  C  C5  1  0.765  0.250  0.681  1.0
  C  C6  1  0.357  0.750  0.063  1.0
  C  C7  1  0.235  0.750  0.319  1.0
  C  C8  1  0.265  0.250  0.319  1.0
  C  C9  1  0.857  0.750  0.937  1.0
  C  C10  1  0.735  0.750  0.681  1.0
  C  C11  1  0.643  0.250  0.937  1.0
  N  N12  1  0.383  0.250  0.425  1.0
  N  N13  1  0.855  0.750  0.077  1.0
  N  N14  1  0.381  0.750  0.217  1.0
  N  N15  1  0.117  0.750  0.425  1.0
  N  N16  1  0.881  0.750  0.783  1.0
  N  N17  1  0.145  0.250  0.923  1.0
  N  N18  1  0.617  0.750  0.575  1.0
  N  N19  1  0.355  0.750  0.923  1.0
  N  N20  1  0.883  0.250  0.575  1.0
  N  N21  1  0.119  0.250  0.217  1.0
  N  N22  1  0.619  0.250  0.783  1.0
  N  N23  1  0.645  0.250  0.077  1.0
[/CIF]
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The material structure described by KC2N3 crystallizes in the orthorhombic Pbcm space group. K(1) is bonded in a 8-coordinate geometry to two equivalent N(2), two equivalent N(3), and four equivalent N(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one N(2) and one N(3) atom. In the second C site, C(2) is bonded in a linear geometry to one N(1) and one N(3) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted single-bond geometry to four equivalent K(1) and one C(2) atom. In the second N site, N(2) is bonded in a 3-coordinate geometry to two equivalent K(1) and one C(1) atom. In the third N site, N(3) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one C(1), and one C(2) atom. is represented by the CIF file [CIF]
data_KC2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.633
_cell_length_b   7.432
_cell_length_c   8.444
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   416.208
_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
  K  K0  1  0.750  0.500  0.318  1.0
  K  K1  1  0.750  0.000  0.318  1.0
  K  K2  1  0.250  0.500  0.682  1.0
  K  K3  1  0.250  0.000  0.682  1.0
  C  C4  1  0.143  0.250  0.063  1.0
  C  C5  1  0.765  0.250  0.681  1.0
  C  C6  1  0.357  0.750  0.063  1.0
  C  C7  1  0.235  0.750  0.319  1.0
  C  C8  1  0.265  0.250  0.319  1.0
  C  C9  1  0.857  0.750  0.937  1.0
  C  C10  1  0.735  0.750  0.681  1.0
  C  C11  1  0.643  0.250  0.937  1.0
  N  N12  1  0.383  0.250  0.425  1.0
  N  N13  1  0.855  0.750  0.077  1.0
  N  N14  1  0.381  0.750  0.217  1.0
  N  N15  1  0.117  0.750  0.425  1.0
  N  N16  1  0.881  0.750  0.783  1.0
  N  N17  1  0.145  0.250  0.923  1.0
  N  N18  1  0.617  0.750  0.575  1.0
  N  N19  1  0.355  0.750  0.923  1.0
  N  N20  1  0.883  0.250  0.575  1.0
  N  N21  1  0.119  0.250  0.217  1.0
  N  N22  1  0.619  0.250  0.783  1.0
  N  N23  1  0.645  0.250  0.077  1.0
[/CIF]
.