data_ScSiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   140.2
_cell_angle_beta   140.2
_cell_angle_gamma   57.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSiAs2
_chemical_formula_sum   'Sc1 Si1 As2'
_cell_volume   73.78
_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  Sc2  1  0.0  0.93  0.48  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.93  0.0  0.48  1.0
  As  As1  1  0.0  0.0  0.96  1.0

data_ScSiAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   5.66
_cell_angle_alpha   109.9
_cell_angle_beta   109.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSiAs2
_chemical_formula_sum   'Sc1 Si1 As2'
_cell_volume   73.78
_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  Sc0  1  0.55  0.48  0.55  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.48  0.55  0.55  1.0
  As  As3  1  0.96  0.96  0.96  1.0

Sc Si As As
Sc Si As As 0 2 - + o 1 3 o o - 
ScAsSiAs is Cubic alpha N2-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one arsenic;scandium molecule and one SiAs cluster. In the SiAs cluster, Si(1) is bonded in a single-bond geometry to one As(2) atom. The Si(1)-As(2) bond length is 0.21 Å. As(2) is bonded in a single-bond geometry to one Si(1) atom.