data_K2ZrAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.08
_cell_length_b   10.08
_cell_length_c   10.08
_cell_angle_alpha   158.63
_cell_angle_beta   157.42
_cell_angle_gamma   31.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ZrAs
_chemical_formula_sum   'K2 Zr1 As1'
_cell_volume   143.14
_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  0.97  0.6  1.0
  K  K2  1  0.87  0.0  0.11  1.0
  Zr  Zr3  1  0.0  0.0  0.71  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_K2ZrAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   3.95
_cell_length_c   10.08
_cell_angle_alpha   101.29
_cell_angle_beta   100.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ZrAs
_chemical_formula_sum   'K2 Zr1 As1'
_cell_volume   143.14
_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  0.11  0.24  1.0
  K  K1  1  0.03  0.62  0.62  1.0
  Zr  Zr2  1  0.0  0.71  0.71  1.0
  As  As3  1  0.0  0.0  0.0  1.0

K K Zr As
K2ZrAs crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one K2ZrAs cluster. There are two inequivalent K sites. In the first K site, K(1) is bonded in a single-bond geometry to one Zr(1) atom. The K(1)-Zr(1) bond length is 0.84 Å. In the second K site, K(2) is bonded in a single-bond geometry to one As(1) atom. The K(2)-As(1) bond length is 2.36 Å. Zr(1) is bonded in a distorted single-bond geometry to one K(1) and one As(1) atom. The Zr(1)-As(1) bond length is 2.97 Å. As(1) is bonded in a distorted linear geometry to one K(2) and one Zr(1) atom.