data_K2FeBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   6.47
_cell_angle_alpha   138.05
_cell_angle_beta   138.05
_cell_angle_gamma   60.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2FeBi
_chemical_formula_sum   'K2 Fe1 Bi1'
_cell_volume   119.67
_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  0.32  0.0  0.79  1.0
  K  K3  1  0.0  0.32  0.79  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.58  1.0

data_K2FeBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.55
_cell_length_b   6.55
_cell_length_c   6.47
_cell_angle_alpha   90.0
_cell_angle_beta   120.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2FeBi
_chemical_formula_sum   'K4 Fe2 Bi2'
_cell_volume   239.33
_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  4  0.37  0.16  0.53  1.0
  Fe  Fe1  2  0.0  0.0  0.0  1.0
  Bi  Bi2  2  0.42  0.0  0.42  1.0

K K Fe Bi
K2FeBi crystallizes in the monoclinic Cm space group. K(1) is bonded in a single-bond geometry to three equivalent Fe(1) and one Bi(1) atom. There are a spread of K(1)-Fe(1) bond distances ranging from 3.19-3.84 Å. The K(1)-Bi(1) bond length is 1.37 Å. Fe(1) is bonded in a 7-coordinate geometry to six equivalent K(1) and one Bi(1) atom. The Fe(1)-Bi(1) bond length is 2.73 Å. Bi(1) is bonded in a water-like geometry to two equivalent K(1) and one Fe(1) atom.