data_ScP2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   131.71
_cell_angle_beta   131.71
_cell_angle_gamma   70.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScP2Cl
_chemical_formula_sum   'Sc1 P2 Cl1'
_cell_volume   70.61
_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  0.07  0.0  0.06  1.0
  P  P1  1  0.0  0.07  0.06  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.12  1.0

data_ScP2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   5.06
_cell_angle_alpha   114.15
_cell_angle_beta   114.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScP2Cl
_chemical_formula_sum   'Sc1 P2 Cl1'
_cell_volume   70.61
_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  0.06  0.99  0.99  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.99  0.06  0.99  1.0
  Cl  Cl3  1  0.12  0.12  0.12  1.0

Sc P P Cl
ScP2Cl is alpha Niobium phosphide-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ScP2Cl cluster. Sc(1) is bonded in a distorted single-bond geometry to one P(1), one P(2), and one Cl(1) atom. The Sc(1)-P(1) bond length is 0.40 Å. The Sc(1)-P(2) bond length is 0.27 Å. The Sc(1)-Cl(1) bond length is 0.60 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 3-coordinate geometry to one Sc(1), one P(2), and one Cl(1) atom. The P(1)-P(2) bond length is 0.27 Å. The P(1)-Cl(1) bond length is 0.60 Å. In the second P site, P(2) is bonded in a distorted single-bond geometry to one Sc(1) and one P(1) atom. Cl(1) is bonded in a 2-coordinate geometry to one Sc(1) and one P(1) atom.