The crystal structure described by KC2 crystallizes in the tetragonal P4/nmm space group. K(1) is bonded in a distorted q4 geometry to five equivalent C(1) and five equivalent C(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 6-coordinate geometry to five equivalent K(1) and one C(2) atom. In the second C site, C(2) is bonded to five equivalent K(1) and one C(1) atom to form a mixture of distorted corner and edge-sharing CK5C octahedra. The corner-sharing octahedral tilt angles are 21°. is represented by the CIF card [CIF]
data_KC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.382
_cell_length_b   4.846
_cell_length_c   4.382
_cell_angle_alpha   116.883
_cell_angle_beta   90.000
_cell_angle_gamma   116.883
_symmetry_Int_Tables_number   1
_cell_volume   71.536
_cell_formula_units_Z   1
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  0.665  0.330  0.165  1.0
  C  C1  1  0.835  0.670  0.335  1.0
  K  K2  1  0.250  0.500  0.750  1.0
[/CIF]
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The crystal structure described by KC2 crystallizes in the tetragonal P4/nmm space group. K(1) is bonded in a distorted q4 geometry to five equivalent C(1) and five equivalent C(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 6-coordinate geometry to five equivalent K(1) and one C(2) atom. In the second C site, C(2) is bonded to five equivalent K(1) and one C(1) atom to form a mixture of distorted corner and edge-sharing CK5C octahedra. The corner-sharing octahedral tilt angles are 21°. is represented by the CIF card [CIF]
data_KC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.382
_cell_length_b   4.846
_cell_length_c   4.382
_cell_angle_alpha   116.883
_cell_angle_beta   90.000
_cell_angle_gamma   116.883
_symmetry_Int_Tables_number   1
_cell_volume   71.536
_cell_formula_units_Z   1
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  0.665  0.330  0.165  1.0
  C  C1  1  0.835  0.670  0.335  1.0
  K  K2  1  0.250  0.500  0.750  1.0
[/CIF]
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