data_Sc(BeIr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   131.42
_cell_angle_beta   131.42
_cell_angle_gamma   71.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc(BeIr)2
_chemical_formula_sum   'Sc1 Be2 Ir2'
_cell_volume   69.66
_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
  Sc  Sc4  1  0.0  0.0  0.0  1.0
  Be  Be0  1  0.0  0.0  0.25  1.0
  Be  Be1  1  0.0  0.0  0.92  1.0
  Ir  Ir2  1  0.0  0.07  0.04  1.0
  Ir  Ir3  1  0.07  0.0  0.04  1.0

data_Sc(BeIr)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   125.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc(BeIr)2
_chemical_formula_sum   'Sc2 Be4 Ir4'
_cell_volume   139.32
_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
  Sc  Sc0  2  0.0  0.0  0.0  1.0
  Be  Be1  2  0.0  0.0  0.25  1.0
  Be  Be2  2  0.0  0.0  0.92  1.0
  Ir  Ir3  4  0.47  0.47  0.98  1.0

Sc Be Be Ir Ir
Sc(BeIr)2 is alpha Niobium phosphide-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Sc(BeIr)2 clusters. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a 3-coordinate geometry to one Sc(1) and two equivalent Ir(1) atoms. The Be(1)-Sc(1) bond length is 1.23 Å. Both Be(1)-Ir(1) bond lengths are 1.26 Å. In the second Be site, Be(2) is bonded in a 3-coordinate geometry to one Sc(1) and two equivalent Ir(1) atoms. The Be(2)-Sc(1) bond length is 0.39 Å. Both Be(2)-Ir(1) bond lengths are 0.46 Å. Sc(1) is bonded in a water-like geometry to one Be(1), one Be(2), and two equivalent Ir(1) atoms. Both Sc(1)-Ir(1) bond lengths are 0.25 Å. Ir(1) is bonded in a single-bond geometry to one Be(1), one Be(2), and one Sc(1) atom.