data_K2BeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   5.04
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   91.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BeIr
_chemical_formula_sum   'K2 Be1 Ir1'
_cell_volume   91.93
_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  K2  1  0.71  0.52  0.32  1.0
  K  K3  1  0.66  0.52  0.9  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.94  0.0  0.61  1.0

data_K2BeIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   5.04
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   91.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BeIr
_chemical_formula_sum   'K2 Be1 Ir1'
_cell_volume   91.93
_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  0.66  0.52  0.9  1.0
  K  K1  1  0.71  0.52  0.32  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.94  0.0  0.61  1.0

K K Be Ir
K K Be Ir 0 1 o o - 2 3 - o - 
K2BeIr crystallizes in the triclinic P1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 3-coordinate geometry to two equivalent K(2) and two equivalent Ir(1) atoms. There is one shorter (2.17 Å) and one longer (3.06 Å) K(1)-K(2) bond length. There is one shorter (2.96 Å) and one longer (3.12 Å) K(1)-Ir(1) bond length. In the second K site, K(2) is bonded in a 12-coordinate geometry to two equivalent K(1), two equivalent K(2), four equivalent Be(1), and four equivalent Ir(1) atoms. Both K(2)-K(2) bond lengths are 3.50 Å. There are a spread of K(2)-Be(1) bond distances ranging from 2.74-3.54 Å. There are a spread of K(2)-Ir(1) bond distances ranging from 3.04-3.92 Å. Be(1) is bonded in a distorted single-bond geometry to four equivalent K(2) and one Ir(1) atom. The Be(1)-Ir(1) bond length is 2.05 Å. Ir(1) is bonded in a 1-coordinate geometry to two equivalent K(1), four equivalent K(2), and one Be(1) atom.