data_Sc2CrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   3.19
_cell_length_c   7.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CrCl
_chemical_formula_sum   'Sc2 Cr1 Cl1'
_cell_volume   77.53
_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  0.6  0.6  0.46  1.0
  Sc  Sc3  1  0.6  0.6  0.14  1.0
  Cr  Cr1  1  0.0  0.0  0.8  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Sc2CrCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   7.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2CrCl
_chemical_formula_sum   'Sc4 Cr2 Cl2'
_cell_volume   155.07
_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  0.1  0.5  0.14  1.0
  Sc  Sc1  2  0.1  0.5  0.46  1.0
  Cr  Cr2  2  0.0  0.0  0.8  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Sc Sc Cr Cl
Sc Sc Cr Cl 0 0 + o o 0 0 o + o 0 1 o o o 0 2 + + o 1 3 o + o 1 3 + o o 1 3 + + o 2 3 o o + 
Sc2CrCl crystallizes in the monoclinic Cm space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 9-coordinate geometry to one Sc(2), four equivalent Sc(1), and four equivalent Cr(1) atoms. The Sc(1)-Sc(2) bond length is 2.41 Å. All Sc(1)-Sc(1) bond lengths are 3.19 Å. There are a spread of Sc(1)-Cr(1) bond distances ranging from 3.17-3.74 Å. In the second Sc site, Sc(2) is bonded in a 3-coordinate geometry to one Sc(1) and four equivalent Cl(1) atoms. There are a spread of Sc(2)-Cl(1) bond distances ranging from 2.12-2.91 Å. Cr(1) is bonded in a single-bond geometry to four equivalent Sc(1) and one Cl(1) atom. The Cr(1)-Cl(1) bond length is 1.51 Å. Cl(1) is bonded in a 5-coordinate geometry to four equivalent Sc(2) and one Cr(1) atom.