data_ScCrB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   4.07
_cell_angle_alpha   126.92
_cell_angle_beta   126.92
_cell_angle_gamma   78.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCrB2
_chemical_formula_sum   'Sc1 Cr1 B2'
_cell_volume   41.76
_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
  Cr  Cr2  1  0.0  0.0  0.16  1.0
  B  B0  1  0.82  0.0  0.58  1.0
  B  B1  1  0.0  0.82  0.58  1.0

data_ScCrB2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   4.07
_cell_angle_alpha   90.0
_cell_angle_beta   129.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScCrB2
_chemical_formula_sum   'Sc2 Cr2 B4'
_cell_volume   83.51
_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  0.0  0.0  0.0  1.0
  Cr  Cr1  2  0.34  0.5  0.84  1.0
  B  B2  4  0.33  0.09  0.24  1.0

Sc Cr B B
ScCrB2 is Copper structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ScCrB2 clusters. Sc(1) is bonded in a 3-coordinate geometry to one Cr(1) and two equivalent B(1) atoms. The Sc(1)-Cr(1) bond length is 0.63 Å. Both Sc(1)-B(1) bond lengths are 1.41 Å. Cr(1) is bonded in a single-bond geometry to one Sc(1) atom. B(1) is bonded in a 2-coordinate geometry to one Sc(1) and one B(1) atom. The B(1)-B(1) bond length is 0.93 Å.