data_ScSiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74
_cell_length_b   3.74
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSiAs2
_chemical_formula_sum   'Sc1 Si1 As2'
_cell_volume   80.15
_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  0.87  0.87  0.44  1.0
  Si  Si3  1  0.0  0.0  0.57  1.0
  As  As0  1  0.87  0.87  0.2  1.0
  As  As1  1  0.0  0.0  0.13  1.0

data_ScSiAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScSiAs2
_chemical_formula_sum   'Sc2 Si2 As4'
_cell_volume   160.3
_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  0.37  0.5  0.44  1.0
  Si  Si1  2  0.0  0.0  0.57  1.0
  As  As2  2  0.0  0.0  0.13  1.0
  As  As3  2  0.37  0.5  0.2  1.0

Sc Si As As
ScSiAs2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ScSiAs2 clusters. Sc(1) is bonded in a distorted bent 150 degrees geometry to one Si(1) and one As(1) atom. The Sc(1)-Si(1) bond length is 1.04 Å. The Sc(1)-As(1) bond length is 1.36 Å. Si(1) is bonded in a single-bond geometry to one Sc(1) atom. There are two inequivalent As sites. In the first As site, As(1) is bonded in a bent 120 degrees geometry to one Sc(1) and one As(2) atom. The As(1)-As(2) bond length is 0.79 Å. In the second As site, As(2) is bonded in a single-bond geometry to one As(1) atom.