data_KV2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.56
_cell_length_b   5.19
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KV2Mo
_chemical_formula_sum   'K1 V2 Mo1'
_cell_volume   71.11
_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  K0  1  0.0  0.0  0.0  1.0
  V  V2  1  0.28  0.6  0.0  1.0
  V  V3  1  0.0  0.6  0.68  1.0
  Mo  Mo1  1  0.28  0.0  0.68  1.0

data_KV2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.56
_cell_length_b   5.19
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KV2Mo
_chemical_formula_sum   'K1 V2 Mo1'
_cell_volume   71.11
_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  K0  1  0.0  0.0  0.0  1.0
  V  V1  1  0.0  0.6  0.68  1.0
  V  V2  1  0.28  0.6  -0.0  1.0
  Mo  Mo3  1  0.28  0.0  0.68  1.0

K V V Mo
K V V Mo 0 1 o - o 0 3 o o - 1 2 o o - 2 3 o + o 
KV2Mo crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one KV2Mo cluster. K(1) is bonded in a 1-coordinate geometry to one V(1) and one Mo(1) atom. The K(1)-V(1) bond length is 2.22 Å. The K(1)-Mo(1) bond length is 1.87 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 2-coordinate geometry to one K(1) and one V(2) atom. The V(1)-V(2) bond length is 1.87 Å. In the second V site, V(2) is bonded in a 2-coordinate geometry to one V(1) and one Mo(1) atom. The V(2)-Mo(1) bond length is 2.22 Å. Mo(1) is bonded in a distorted single-bond geometry to one K(1) and one V(2) atom.