data_K2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.19
_cell_length_b   8.19
_cell_length_c   8.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Cl
_chemical_formula_sum   'K8 Cl4'
_cell_volume   549.08
_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  K4  1  0.33  0.43  0.86  1.0
  K  K5  1  0.86  0.76  0.33  1.0
  K  K6  1  0.43  0.86  0.33  1.0
  K  K7  1  0.76  0.33  0.86  1.0
  K  K8  1  0.86  0.33  0.43  1.0
  K  K9  1  0.33  0.86  0.76  1.0
  K  K10  1  0.76  0.76  0.76  1.0
  K  K11  1  0.43  0.43  0.43  1.0
  Cl  Cl0  1  0.09  0.0  0.09  1.0
  Cl  Cl1  1  0.0  0.09  0.09  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.09  0.09  0.0  1.0

data_K2Cl
_symmetry_space_group_name_H-M   R3
_cell_length_a   11.58
_cell_length_b   11.58
_cell_length_c   14.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   K2Cl
_chemical_formula_sum   'K24 Cl12'
_cell_volume   1647.25
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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  9  0.01  0.55  0.32  1.0
  K  K1  9  0.13  0.35  0.2  1.0
  K  K2  3  0.0  0.0  0.43  1.0
  K  K3  3  0.0  0.0  0.76  1.0
  Cl  Cl4  9  0.03  0.06  0.06  1.0
  Cl  Cl5  3  0.0  0.0  0.0  1.0

K K K K K K K K Cl Cl Cl Cl
K(KCl) crystallizes in the trigonal R3 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a single-bond geometry to one K(4), two equivalent K(2), and one Cl(1) atom. The K(1)-K(4) bond length is 3.62 Å. Both K(1)-K(2) bond lengths are 3.62 Å. The K(1)-Cl(1) bond length is 3.53 Å. In the second K site, K(2) is bonded in a 6-coordinate geometry to one K(3), two equivalent K(1), one Cl(2), and two equivalent Cl(1) atoms. The K(2)-K(3) bond length is 3.62 Å. The K(2)-Cl(2) bond length is 3.53 Å. There is one shorter (3.36 Å) and one longer (3.53 Å) K(2)-Cl(1) bond length. In the third K site, K(3) is bonded in a single-bond geometry to three equivalent K(2) and one Cl(2) atom. The K(3)-Cl(2) bond length is 3.36 Å. In the fourth K site, K(4) is bonded in a 3-coordinate geometry to three equivalent K(1) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 6-coordinate geometry to one K(1), two equivalent K(2), one Cl(2), and two equivalent Cl(1) atoms. The Cl(1)-Cl(2) bond length is 1.09 Å. Both Cl(1)-Cl(1) bond lengths are 1.09 Å. In the second Cl site, Cl(2) is bonded in a 4-coordinate geometry to one K(3), three equivalent K(2), and three equivalent Cl(1) atoms.