data_YSc2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.57
_cell_length_b   9.57
_cell_length_c   9.57
_cell_angle_alpha   20.75
_cell_angle_beta   20.75
_cell_angle_gamma   20.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSc2Cl
_chemical_formula_sum   'Y1 Sc2 Cl1'
_cell_volume   96.23
_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
  Y  Y3  1  0.0  0.0  0.04  1.0
  Sc  Sc1  1  0.0  0.0  0.36  1.0
  Sc  Sc2  1  0.0  0.0  0.72  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_YSc2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.97
_cell_length_b   3.45
_cell_length_c   9.57
_cell_angle_alpha   90.0
_cell_angle_beta   102.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YSc2Cl
_chemical_formula_sum   'Y2 Sc4 Cl2'
_cell_volume   192.46
_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
  Y  Y0  2  0.0  0.0  0.96  1.0
  Sc  Sc1  2  0.0  0.0  0.28  1.0
  Sc  Sc2  2  0.0  0.0  0.64  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Y Sc Sc Cl
YSc2Cl crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two YSc2Cl clusters. Y(1) is bonded in a single-bond geometry to one Sc(1) and one Cl(1) atom. The Y(1)-Sc(1) bond length is 3.07 Å. The Y(1)-Cl(1) bond length is 0.36 Å. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a distorted single-bond geometry to one Y(1) atom. In the second Sc site, Sc(2) is bonded in a single-bond geometry to one Cl(1) atom. The Sc(2)-Cl(1) bond length is 2.71 Å. Cl(1) is bonded in a single-bond geometry to one Y(1) and one Sc(2) atom.