The material described by KSeCN crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 7-coordinate geometry to one C(1), three equivalent N(1), and three equivalent Se(1) atoms. C(1) is bonded in a distorted single-bond geometry to one K(1), one N(1), and one Se(1) atom. N(1) is bonded in a 4-coordinate geometry to three equivalent K(1) and one C(1) atom. Se(1) is bonded to three equivalent K(1) and one C(1) atom to form corner-sharing SeK3C trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_KCSeN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.751
_cell_length_b   4.604
_cell_length_c   12.035
_cell_angle_alpha   79.657
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   422.505
_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  0.696  0.629  0.097  1.0
  K  K1  1  0.304  0.371  0.903  1.0
  K  K2  1  0.804  0.629  0.597  1.0
  K  K3  1  0.196  0.371  0.403  1.0
  C  C4  1  0.777  0.159  0.884  1.0
  C  C5  1  0.723  0.159  0.384  1.0
  C  C6  1  0.223  0.841  0.116  1.0
  C  C7  1  0.277  0.841  0.616  1.0
  Se  Se8  1  0.448  0.961  0.698  1.0
  Se  Se9  1  0.948  0.039  0.802  1.0
  Se  Se10  1  0.052  0.961  0.198  1.0
  Se  Se11  1  0.552  0.039  0.302  1.0
  N  N12  1  0.664  0.238  0.939  1.0
  N  N13  1  0.836  0.238  0.439  1.0
  N  N14  1  0.164  0.762  0.561  1.0
  N  N15  1  0.336  0.762  0.061  1.0
[/CIF]
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The material described by KSeCN crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 7-coordinate geometry to one C(1), three equivalent N(1), and three equivalent Se(1) atoms. C(1) is bonded in a distorted single-bond geometry to one K(1), one N(1), and one Se(1) atom. N(1) is bonded in a 4-coordinate geometry to three equivalent K(1) and one C(1) atom. Se(1) is bonded to three equivalent K(1) and one C(1) atom to form corner-sharing SeK3C trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_KCSeN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.751
_cell_length_b   4.604
_cell_length_c   12.035
_cell_angle_alpha   79.657
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   422.505
_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  0.696  0.629  0.097  1.0
  K  K1  1  0.304  0.371  0.903  1.0
  K  K2  1  0.804  0.629  0.597  1.0
  K  K3  1  0.196  0.371  0.403  1.0
  C  C4  1  0.777  0.159  0.884  1.0
  C  C5  1  0.723  0.159  0.384  1.0
  C  C6  1  0.223  0.841  0.116  1.0
  C  C7  1  0.277  0.841  0.616  1.0
  Se  Se8  1  0.448  0.961  0.698  1.0
  Se  Se9  1  0.948  0.039  0.802  1.0
  Se  Se10  1  0.052  0.961  0.198  1.0
  Se  Se11  1  0.552  0.039  0.302  1.0
  N  N12  1  0.664  0.238  0.939  1.0
  N  N13  1  0.836  0.238  0.439  1.0
  N  N14  1  0.164  0.762  0.561  1.0
  N  N15  1  0.336  0.762  0.061  1.0
[/CIF]
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