data_K2FeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   6.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2FeCl
_chemical_formula_sum   'K2 Fe1 Cl1'
_cell_volume   146.5
_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
  K  K2  1  0.0  0.0  0.14  1.0
  K  K3  1  0.31  0.31  0.55  1.0
  Fe  Fe1  1  0.31  0.31  0.95  1.0
  Cl  Cl0  1  0.0  0.0  0.5  1.0

data_K2FeCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.54
_cell_length_b   6.54
_cell_length_c   6.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2FeCl
_chemical_formula_sum   'K4 Fe2 Cl2'
_cell_volume   292.99
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.14  1.0
  K  K1  2  0.31  0.0  0.55  1.0
  Fe  Fe2  2  0.31  0.0  0.95  1.0
  Cl  Cl3  2  0.0  0.0  0.5  1.0

K K Fe Cl
K K Fe Cl 0 2 o o - 0 3 o o o 1 3 o o o 1 2 o o o 
K2FeCl crystallizes in the monoclinic Cm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one Cl(1) atom. The K(1)-Fe(1) bond length is 2.40 Å. The K(1)-Cl(1) bond length is 2.51 Å. In the second K site, K(2) is bonded in a distorted single-bond geometry to one Fe(1) and three equivalent Cl(1) atoms. The K(2)-Fe(1) bond length is 2.74 Å. There is one shorter (2.06 Å) and two longer (3.51 Å) K(2)-Cl(1) bond lengths. Fe(1) is bonded in a 2-coordinate geometry to one K(1) and one K(2) atom. Cl(1) is bonded in a 4-coordinate geometry to one K(1) and three equivalent K(2) atoms.