The structure described by Sc7(CCl5)2 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic C2/m space group. There are four inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to three equivalent C(1), one Cl(4), and two equivalent Cl(5) atoms to form ScC3Cl3 octahedra that share  a cornercorner with one Sc(3)CCl5 octahedra, corners with two equivalent Sc(2)C2Cl4 octahedra, edges with two equivalent Sc(3)CCl5 octahedra, edges with three equivalent Sc(2)C2Cl4 octahedra, and edges with four equivalent Sc(1)C3Cl3 octahedra. The corner-sharing octahedral tilt angles are 6°. In the second Sc site, Sc(2) is bonded to two equivalent C(1), one Cl(2), one Cl(5), and two equivalent Cl(3) atoms to form ScC2Cl4 octahedra that share corners with two equivalent Sc(1)C3Cl3 octahedra, corners with two equivalent Sc(4)Cl6 octahedra, edges with two equivalent Sc(2)C2Cl4 octahedra, edges with two equivalent Sc(3)CCl5 octahedra, and edges with three equivalent Sc(1)C3Cl3 octahedra. The corner-sharing octahedral tilt angles range from 6-44°. In the third Sc site, Sc(3) is bonded to one C(1), one Cl(1), two equivalent Cl(2), and two equivalent Cl(4) atoms to form distorted ScCCl5 octahedra that share  a cornercorner with one Sc(1)C3Cl3 octahedra, corners with two equivalent Sc(4)Cl6 octahedra, edges with two equivalent Sc(2)C2Cl4 octahedra, edges with two equivalent Sc(1)C3Cl3 octahedra, and edges with two equivalent Sc(3)CCl5 octahedra. The corner-sharing octahedral tilt angles range from 6-46°. In the fourth Sc site, Sc(4) is bonded to two equivalent Cl(3) and four equivalent Cl(1) atoms to form ScCl6 octahedra that share corners with four equivalent Sc(2)C2Cl4 octahedra, corners with four equivalent Sc(3)CCl5 octahedra, and edges with two equivalent Sc(4)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 44-46°. C(1) is bonded to one Sc(3), two equivalent Sc(2), and three equivalent Sc(1) atoms to form edge-sharing CSc6 octahedra. There are five 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(4) atoms. In the second Cl site, Cl(2) is bonded in a distorted T-shaped geometry to one Sc(2) and two equivalent Sc(3) atoms. In the third Cl site, Cl(3) is bonded in a 3-coordinate geometry to one Sc(4) and two equivalent Sc(2) atoms. In the fourth Cl site, Cl(4) is bonded in a distorted T-shaped geometry to one Sc(1) and two equivalent Sc(3) atoms. In the fifth Cl site, Cl(5) is bonded in a distorted T-shaped geometry to one Sc(2) and two equivalent Sc(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc7(CCl5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.569
_cell_length_b   9.569
_cell_length_c   11.925
_cell_angle_alpha   80.123
_cell_angle_beta   80.123
_cell_angle_gamma   21.129
_symmetry_Int_Tables_number   1
_cell_volume   387.539
_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  0.818  0.818  0.507  1.0
  Sc  Sc1  1  0.182  0.182  0.493  1.0
  Sc  Sc2  1  0.700  0.700  0.722  1.0
  Sc  Sc3  1  0.300  0.300  0.278  1.0
  Sc  Sc4  1  0.344  0.344  0.731  1.0
  Sc  Sc5  1  0.656  0.656  0.269  1.0
  Sc  Sc6  1  0.000  0.000  0.000  1.0
  C  C7  1  0.261  0.261  0.625  1.0
  C  C8  1  0.739  0.739  0.375  1.0
  Cl  Cl9  1  0.452  0.452  0.879  1.0
  Cl  Cl10  1  0.548  0.548  0.121  1.0
  Cl  Cl11  1  0.785  0.785  0.872  1.0
  Cl  Cl12  1  0.215  0.215  0.128  1.0
  Cl  Cl13  1  0.122  0.122  0.866  1.0
  Cl  Cl14  1  0.074  0.074  0.373  1.0
  Cl  Cl15  1  0.926  0.926  0.627  1.0
  Cl  Cl16  1  0.404  0.404  0.385  1.0
  Cl  Cl17  1  0.596  0.596  0.615  1.0
  Cl  Cl18  1  0.878  0.878  0.134  1.0
[/CIF]
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The structure described by Sc7(CCl5)2 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic C2/m space group. There are four inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to three equivalent C(1), one Cl(4), and two equivalent Cl(5) atoms to form ScC3Cl3 octahedra that share  a cornercorner with one Sc(3)CCl5 octahedra, corners with two equivalent Sc(2)C2Cl4 octahedra, edges with two equivalent Sc(3)CCl5 octahedra, edges with three equivalent Sc(2)C2Cl4 octahedra, and edges with four equivalent Sc(1)C3Cl3 octahedra. The corner-sharing octahedral tilt angles are 6°. In the second Sc site, Sc(2) is bonded to two equivalent C(1), one Cl(2), one Cl(5), and two equivalent Cl(3) atoms to form ScC2Cl4 octahedra that share corners with two equivalent Sc(1)C3Cl3 octahedra, corners with two equivalent Sc(4)Cl6 octahedra, edges with two equivalent Sc(2)C2Cl4 octahedra, edges with two equivalent Sc(3)CCl5 octahedra, and edges with three equivalent Sc(1)C3Cl3 octahedra. The corner-sharing octahedral tilt angles range from 6-44°. In the third Sc site, Sc(3) is bonded to one C(1), one Cl(1), two equivalent Cl(2), and two equivalent Cl(4) atoms to form distorted ScCCl5 octahedra that share  a cornercorner with one Sc(1)C3Cl3 octahedra, corners with two equivalent Sc(4)Cl6 octahedra, edges with two equivalent Sc(2)C2Cl4 octahedra, edges with two equivalent Sc(1)C3Cl3 octahedra, and edges with two equivalent Sc(3)CCl5 octahedra. The corner-sharing octahedral tilt angles range from 6-46°. In the fourth Sc site, Sc(4) is bonded to two equivalent Cl(3) and four equivalent Cl(1) atoms to form ScCl6 octahedra that share corners with four equivalent Sc(2)C2Cl4 octahedra, corners with four equivalent Sc(3)CCl5 octahedra, and edges with two equivalent Sc(4)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 44-46°. C(1) is bonded to one Sc(3), two equivalent Sc(2), and three equivalent Sc(1) atoms to form edge-sharing CSc6 octahedra. There are five 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(4) atoms. In the second Cl site, Cl(2) is bonded in a distorted T-shaped geometry to one Sc(2) and two equivalent Sc(3) atoms. In the third Cl site, Cl(3) is bonded in a 3-coordinate geometry to one Sc(4) and two equivalent Sc(2) atoms. In the fourth Cl site, Cl(4) is bonded in a distorted T-shaped geometry to one Sc(1) and two equivalent Sc(3) atoms. In the fifth Cl site, Cl(5) is bonded in a distorted T-shaped geometry to one Sc(2) and two equivalent Sc(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc7(CCl5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.569
_cell_length_b   9.569
_cell_length_c   11.925
_cell_angle_alpha   80.123
_cell_angle_beta   80.123
_cell_angle_gamma   21.129
_symmetry_Int_Tables_number   1
_cell_volume   387.539
_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  0.818  0.818  0.507  1.0
  Sc  Sc1  1  0.182  0.182  0.493  1.0
  Sc  Sc2  1  0.700  0.700  0.722  1.0
  Sc  Sc3  1  0.300  0.300  0.278  1.0
  Sc  Sc4  1  0.344  0.344  0.731  1.0
  Sc  Sc5  1  0.656  0.656  0.269  1.0
  Sc  Sc6  1  0.000  0.000  0.000  1.0
  C  C7  1  0.261  0.261  0.625  1.0
  C  C8  1  0.739  0.739  0.375  1.0
  Cl  Cl9  1  0.452  0.452  0.879  1.0
  Cl  Cl10  1  0.548  0.548  0.121  1.0
  Cl  Cl11  1  0.785  0.785  0.872  1.0
  Cl  Cl12  1  0.215  0.215  0.128  1.0
  Cl  Cl13  1  0.122  0.122  0.866  1.0
  Cl  Cl14  1  0.074  0.074  0.373  1.0
  Cl  Cl15  1  0.926  0.926  0.627  1.0
  Cl  Cl16  1  0.404  0.404  0.385  1.0
  Cl  Cl17  1  0.596  0.596  0.615  1.0
  Cl  Cl18  1  0.878  0.878  0.134  1.0
[/CIF]
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