data_K2VFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79
_cell_length_b   3.79
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2VFe
_chemical_formula_sum   'K2 V1 Fe1'
_cell_volume   84.72
_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  K1  1  0.89  0.0  0.95  1.0
  K  K2  1  0.0  0.89  0.95  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.89  0.89  0.0  1.0

data_K2VFe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2VFe
_chemical_formula_sum   'K4 V2 Fe2'
_cell_volume   169.45
_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  0.45  0.45  0.95  1.0
  V  V1  2  0.0  0.0  0.0  1.0
  Fe  Fe2  2  0.39  0.5  -0.0  1.0

K K V Fe
K K V Fe 0 1 + - o 0 3 o - + 0 2 + o + 1 3 - o + 1 2 o + + 2 3 - - o 
K2VFe crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two K2VFe clusters. K(1) is bonded in a 2-coordinate geometry to one V(1) and one Fe(1) atom. The K(1)-V(1) bond length is 0.49 Å. The K(1)-Fe(1) bond length is 0.49 Å. V(1) is bonded in a 2-coordinate geometry to two equivalent K(1) atoms. Fe(1) is bonded in a 2-coordinate geometry to two equivalent K(1) atoms.