data_KNbV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69
_cell_length_b   2.69
_cell_length_c   10.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNbV2
_chemical_formula_sum   'K1 Nb1 V2'
_cell_volume   78.93
_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
  Nb  Nb1  1  0.0  0.0  0.45  1.0
  V  V2  1  0.35  0.35  0.67  1.0
  V  V3  1  0.35  0.35  0.23  1.0

data_KNbV2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.81
_cell_length_b   3.81
_cell_length_c   10.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KNbV2
_chemical_formula_sum   'K2 Nb2 V4'
_cell_volume   157.86
_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  0.0  1.0
  Nb  Nb1  2  0.0  0.0  0.45  1.0
  V  V2  2  0.35  0.0  0.23  1.0
  V  V3  2  0.35  0.0  0.67  1.0

K Nb V V
K Nb V V 0 0 + o o 0 0 o + o 0 3 o o o 0 3 o - o 0 3 - o o 1 3 - o o 1 3 o - o 1 3 o o o 1 2 - o o 1 2 o - o 1 2 o o o 1 1 + o o 1 1 o + o 2 2 + o o 2 2 o + o 3 3 + o o 3 3 o + o 
KNbV2 crystallizes in the monoclinic Cm space group. K(1) is bonded in a 1-coordinate geometry to one V(2) and three equivalent V(1) atoms. The K(1)-V(2) bond length is 2.88 Å. There is one shorter (3.86 Å) and two longer (4.14 Å) K(1)-V(1) bond lengths. Nb(1) is bonded in a 6-coordinate geometry to four equivalent Nb(1), one V(2), and four equivalent V(1) atoms. All Nb(1)-Nb(1) bond lengths are 2.69 Å. The Nb(1)-V(2) bond length is 2.70 Å. There are a spread of Nb(1)-V(1) bond distances ranging from 2.70-3.43 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 11-coordinate geometry to three equivalent K(1), four equivalent Nb(1), and four equivalent V(1) atoms. All V(1)-V(1) bond lengths are 2.69 Å. In the second V site, V(2) is bonded in a 1-coordinate geometry to one K(1) and one Nb(1) atom.