data_KV2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   3.08
_cell_length_c   8.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KV2Ir
_chemical_formula_sum   'K1 V2 Ir1'
_cell_volume   83.08
_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  0.0  0.0  0.0  1.0
  V  V2  1  0.54  0.54  0.11  1.0
  V  V3  1  0.54  0.54  0.62  1.0
  Ir  Ir0  1  0.0  0.0  0.37  1.0

data_KV2Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   8.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KV2Ir
_chemical_formula_sum   'K2 V4 Ir2'
_cell_volume   166.16
_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
  V  V1  2  0.04  0.5  0.11  1.0
  V  V2  2  0.04  0.5  0.62  1.0
  Ir  Ir3  2  0.0  0.0  0.37  1.0

K V V Ir
KV2Ir crystallizes in the monoclinic Cm space group. K(1) is bonded in a 4-coordinate geometry to four equivalent V(1), four equivalent V(2), and one Ir(1) atom. There are a spread of K(1)-V(1) bond distances ranging from 2.20-2.54 Å. There are a spread of K(1)-V(2) bond distances ranging from 3.84-4.05 Å. The K(1)-Ir(1) bond length is 3.19 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 4-coordinate geometry to four equivalent K(1) and four equivalent Ir(1) atoms. There are a spread of V(1)-Ir(1) bond distances ranging from 3.02-3.27 Å. In the second V site, V(2) is bonded in a 12-coordinate geometry to four equivalent K(1), four equivalent V(2), and four equivalent Ir(1) atoms. All V(2)-V(2) bond lengths are 3.08 Å. There are a spread of V(2)-Ir(1) bond distances ranging from 3.02-3.27 Å. Ir(1) is bonded in a 13-coordinate geometry to one K(1), four equivalent V(1), four equivalent V(2), and four equivalent Ir(1) atoms. All Ir(1)-Ir(1) bond lengths are 3.08 Å.