data_ScAs2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   3.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAs2Ir
_chemical_formula_sum   'Sc1 As2 Ir1'
_cell_volume   66.38
_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  Sc3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.6  0.64  0.58  1.0
  As  As1  1  0.6  0.36  0.58  1.0
  Ir  Ir2  1  0.21  0.0  0.0  1.0

data_ScAs2Ir
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.15
_cell_length_b   4.59
_cell_length_c   4.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ScAs2Ir
_chemical_formula_sum   'Sc1 As2 Ir1'
_cell_volume   66.39
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  Sc0  1  0.0  0.0  0.0  1.0
  As  As1  2  0.58  0.36  0.6  1.0
  Ir  Ir2  1  0.0  0.0  0.21  1.0

Sc As As Ir
ScIrAs2 crystallizes in the monoclinic Pm space group. Sc(1) is bonded in a single-bond geometry to one Ir(1) and four equivalent As(1) atoms. The Sc(1)-Ir(1) bond length is 0.96 Å. There are two shorter (2.79 Å) and two longer (3.05 Å) Sc(1)-As(1) bond lengths. Ir(1) is bonded in a single-bond geometry to one Sc(1) and four equivalent As(1) atoms. There are two shorter (2.79 Å) and two longer (3.05 Å) Ir(1)-As(1) bond lengths. As(1) is bonded in a 5-coordinate geometry to two equivalent Sc(1), two equivalent Ir(1), and one As(1) atom. The As(1)-As(1) bond length is 1.29 Å.