data_K2ScV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34
_cell_length_b   7.34
_cell_length_c   3.4
_cell_angle_alpha   102.24
_cell_angle_beta   102.24
_cell_angle_gamma   127.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ScV
_chemical_formula_sum   'K2 Sc1 V1'
_cell_volume   128.31
_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  0.83  0.71  0.49  1.0
  K  K1  1  0.83  0.29  0.49  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.27  0.0  0.0  1.0

data_K2ScV
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   5.76
_cell_length_c   7.34
_cell_angle_alpha   112.37
_cell_angle_beta   102.24
_cell_angle_gamma   92.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ScV
_chemical_formula_sum   'K2 Sc1 V1'
_cell_volume   128.31
_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  0.21  0.71  0.54  1.0
  K  K1  1  0.78  0.29  0.11  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  V  V3  1  -0.0  0.0  0.27  1.0

K K Sc V
K K Sc V 0 2 + + + 0 1 o o o 1 3 o o o 1 3 + + + 1 2 + o o 1 2 + o + 1 1 o o + 2 3 o o o 
K2ScV crystallizes in the triclinic P1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 1-coordinate geometry to one K(2), one Sc(1), and one V(1) atom. The K(1)-K(2) bond length is 3.14 Å. The K(1)-Sc(1) bond length is 1.82 Å. The K(1)-V(1) bond length is 2.41 Å. In the second K site, K(2) is bonded in a 7-coordinate geometry to one K(1), two equivalent K(2), two equivalent Sc(1), and two equivalent V(1) atoms. Both K(2)-K(2) bond lengths are 3.40 Å. There is one shorter (3.39 Å) and one longer (3.59 Å) K(2)-Sc(1) bond length. There is one shorter (3.03 Å) and one longer (3.77 Å) K(2)-V(1) bond length. Sc(1) is bonded in a 2-coordinate geometry to one K(1), two equivalent K(2), and one V(1) atom. The Sc(1)-V(1) bond length is 1.97 Å. V(1) is bonded in a 3-coordinate geometry to one K(1), two equivalent K(2), and one Sc(1) atom.