The crystal structure described by Sc5CCl8 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one C(1), one Cl(4), two equivalent Cl(2), and two equivalent Cl(3) atoms to form distorted ScCCl5 octahedra that share  a cornercorner with one Sc(1)CCl5 octahedra, corners with two equivalent Sc(3)Cl6 octahedra, edges with two equivalent Sc(1)CCl5 octahedra, and edges with four equivalent Sc(2)C2Cl4 octahedra. The corner-sharing octahedral tilt angles range from 0-46°. In the second Sc site, Sc(2) is bonded to two equivalent C(1), one Cl(2), one Cl(3), and two equivalent Cl(1) atoms to form ScC2Cl4 octahedra that share corners with two equivalent Sc(2)C2Cl4 octahedra, corners with two equivalent Sc(3)Cl6 octahedra, edges with three equivalent Sc(2)C2Cl4 octahedra, and edges with four equivalent Sc(1)CCl5 octahedra. The corner-sharing octahedral tilt angles range from 0-43°. In the third Sc site, Sc(3) is bonded to two equivalent Cl(1) and four equivalent Cl(4) atoms to form ScCl6 octahedra that share corners with four equivalent Sc(2)C2Cl4 octahedra, corners with four equivalent Sc(1)CCl5 octahedra, and edges with two equivalent Sc(3)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 43-46°. C(1) is bonded to two equivalent Sc(1) and four equivalent Sc(2) atoms to form edge-sharing CSc6 octahedra. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 3-coordinate geometry to one Sc(3) and two equivalent Sc(2) atoms. In the second Cl site, Cl(2) is bonded in a distorted T-shaped geometry to one Sc(2) and two equivalent Sc(1) atoms. In the third Cl site, Cl(3) is bonded in a distorted T-shaped geometry to one Sc(2) and two equivalent Sc(1) atoms. In the fourth Cl site, Cl(4) is bonded in a 3-coordinate geometry to one Sc(1) and two equivalent Sc(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc5CCl8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.544
_cell_length_b   9.160
_cell_length_c   9.513
_cell_angle_alpha   80.922
_cell_angle_beta   79.266
_cell_angle_gamma   78.847
_symmetry_Int_Tables_number   1
_cell_volume   295.265
_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  0.839  0.649  0.673  1.0
  Sc  Sc1  1  0.161  0.351  0.327  1.0
  Sc  Sc2  1  0.488  0.637  0.386  1.0
  Sc  Sc3  1  0.512  0.363  0.614  1.0
  Sc  Sc4  1  0.000  0.000  0.000  1.0
  C  C5  1  0.000  0.500  0.500  1.0
  Cl  Cl6  1  0.028  0.179  0.766  1.0
  Cl  Cl7  1  0.972  0.821  0.234  1.0
  Cl  Cl8  1  0.328  0.509  0.834  1.0
  Cl  Cl9  1  0.672  0.491  0.166  1.0
  Cl  Cl10  1  0.700  0.166  0.435  1.0
  Cl  Cl11  1  0.300  0.834  0.565  1.0
  Cl  Cl12  1  0.369  0.158  0.104  1.0
  Cl  Cl13  1  0.631  0.842  0.896  1.0
[/CIF]
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The crystal structure described by Sc5CCl8 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one C(1), one Cl(4), two equivalent Cl(2), and two equivalent Cl(3) atoms to form distorted ScCCl5 octahedra that share  a cornercorner with one Sc(1)CCl5 octahedra, corners with two equivalent Sc(3)Cl6 octahedra, edges with two equivalent Sc(1)CCl5 octahedra, and edges with four equivalent Sc(2)C2Cl4 octahedra. The corner-sharing octahedral tilt angles range from 0-46°. In the second Sc site, Sc(2) is bonded to two equivalent C(1), one Cl(2), one Cl(3), and two equivalent Cl(1) atoms to form ScC2Cl4 octahedra that share corners with two equivalent Sc(2)C2Cl4 octahedra, corners with two equivalent Sc(3)Cl6 octahedra, edges with three equivalent Sc(2)C2Cl4 octahedra, and edges with four equivalent Sc(1)CCl5 octahedra. The corner-sharing octahedral tilt angles range from 0-43°. In the third Sc site, Sc(3) is bonded to two equivalent Cl(1) and four equivalent Cl(4) atoms to form ScCl6 octahedra that share corners with four equivalent Sc(2)C2Cl4 octahedra, corners with four equivalent Sc(1)CCl5 octahedra, and edges with two equivalent Sc(3)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 43-46°. C(1) is bonded to two equivalent Sc(1) and four equivalent Sc(2) atoms to form edge-sharing CSc6 octahedra. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 3-coordinate geometry to one Sc(3) and two equivalent Sc(2) atoms. In the second Cl site, Cl(2) is bonded in a distorted T-shaped geometry to one Sc(2) and two equivalent Sc(1) atoms. In the third Cl site, Cl(3) is bonded in a distorted T-shaped geometry to one Sc(2) and two equivalent Sc(1) atoms. In the fourth Cl site, Cl(4) is bonded in a 3-coordinate geometry to one Sc(1) and two equivalent Sc(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc5CCl8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.544
_cell_length_b   9.160
_cell_length_c   9.513
_cell_angle_alpha   80.922
_cell_angle_beta   79.266
_cell_angle_gamma   78.847
_symmetry_Int_Tables_number   1
_cell_volume   295.265
_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  0.839  0.649  0.673  1.0
  Sc  Sc1  1  0.161  0.351  0.327  1.0
  Sc  Sc2  1  0.488  0.637  0.386  1.0
  Sc  Sc3  1  0.512  0.363  0.614  1.0
  Sc  Sc4  1  0.000  0.000  0.000  1.0
  C  C5  1  0.000  0.500  0.500  1.0
  Cl  Cl6  1  0.028  0.179  0.766  1.0
  Cl  Cl7  1  0.972  0.821  0.234  1.0
  Cl  Cl8  1  0.328  0.509  0.834  1.0
  Cl  Cl9  1  0.672  0.491  0.166  1.0
  Cl  Cl10  1  0.700  0.166  0.435  1.0
  Cl  Cl11  1  0.300  0.834  0.565  1.0
  Cl  Cl12  1  0.369  0.158  0.104  1.0
  Cl  Cl13  1  0.631  0.842  0.896  1.0
[/CIF]
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