The compound described by Sc7Cl12 crystallizes in the trigonal R-3 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to six equivalent Cl(1) atoms to form edge-sharing ScCl6 octahedra. In the second Sc site, Sc(2) is bonded to two equivalent Cl(1) and three equivalent Cl(2) atoms to form ScCl5 square pyramids that share corners with six equivalent Sc(2)Cl5 square pyramids,  an edgeedge with one Sc(1)Cl6 octahedra, and  an edgeedge with one Sc(2)Cl5 square pyramid. There are two inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a distorted T-shaped geometry to three equivalent Sc(2) atoms. In the second Cl site, Cl(1) is bonded in a distorted T-shaped geometry to one Sc(1) and two equivalent Sc(2) atoms. is represented by the CIF card [CIF]
data_Sc7Cl12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.122
_cell_length_b   8.122
_cell_length_c   8.122
_cell_angle_alpha   107.163
_cell_angle_beta   107.163
_cell_angle_gamma   107.163
_symmetry_Int_Tables_number   1
_cell_volume   444.181
_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  0.500  0.500  0.500  1.0
  Sc  Sc1  1  0.973  0.898  0.694  1.0
  Sc  Sc2  1  0.898  0.694  0.973  1.0
  Sc  Sc3  1  0.694  0.973  0.898  1.0
  Sc  Sc4  1  0.027  0.102  0.306  1.0
  Sc  Sc5  1  0.102  0.306  0.027  1.0
  Sc  Sc6  1  0.306  0.027  0.102  1.0
  Cl  Cl7  1  0.618  0.845  0.539  1.0
  Cl  Cl8  1  0.845  0.539  0.618  1.0
  Cl  Cl9  1  0.539  0.618  0.845  1.0
  Cl  Cl10  1  0.382  0.155  0.461  1.0
  Cl  Cl11  1  0.155  0.461  0.382  1.0
  Cl  Cl12  1  0.461  0.382  0.155  1.0
  Cl  Cl13  1  0.075  0.222  0.681  1.0
  Cl  Cl14  1  0.319  0.925  0.778  1.0
  Cl  Cl15  1  0.778  0.319  0.925  1.0
  Cl  Cl16  1  0.925  0.778  0.319  1.0
  Cl  Cl17  1  0.681  0.075  0.222  1.0
  Cl  Cl18  1  0.222  0.681  0.075  1.0
[/CIF]
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The compound described by Sc7Cl12 crystallizes in the trigonal R-3 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to six equivalent Cl(1) atoms to form edge-sharing ScCl6 octahedra. In the second Sc site, Sc(2) is bonded to two equivalent Cl(1) and three equivalent Cl(2) atoms to form ScCl5 square pyramids that share corners with six equivalent Sc(2)Cl5 square pyramids,  an edgeedge with one Sc(1)Cl6 octahedra, and  an edgeedge with one Sc(2)Cl5 square pyramid. There are two inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a distorted T-shaped geometry to three equivalent Sc(2) atoms. In the second Cl site, Cl(1) is bonded in a distorted T-shaped geometry to one Sc(1) and two equivalent Sc(2) atoms. is represented by the CIF card [CIF]
data_Sc7Cl12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.122
_cell_length_b   8.122
_cell_length_c   8.122
_cell_angle_alpha   107.163
_cell_angle_beta   107.163
_cell_angle_gamma   107.163
_symmetry_Int_Tables_number   1
_cell_volume   444.181
_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  0.500  0.500  0.500  1.0
  Sc  Sc1  1  0.973  0.898  0.694  1.0
  Sc  Sc2  1  0.898  0.694  0.973  1.0
  Sc  Sc3  1  0.694  0.973  0.898  1.0
  Sc  Sc4  1  0.027  0.102  0.306  1.0
  Sc  Sc5  1  0.102  0.306  0.027  1.0
  Sc  Sc6  1  0.306  0.027  0.102  1.0
  Cl  Cl7  1  0.618  0.845  0.539  1.0
  Cl  Cl8  1  0.845  0.539  0.618  1.0
  Cl  Cl9  1  0.539  0.618  0.845  1.0
  Cl  Cl10  1  0.382  0.155  0.461  1.0
  Cl  Cl11  1  0.155  0.461  0.382  1.0
  Cl  Cl12  1  0.461  0.382  0.155  1.0
  Cl  Cl13  1  0.075  0.222  0.681  1.0
  Cl  Cl14  1  0.319  0.925  0.778  1.0
  Cl  Cl15  1  0.778  0.319  0.925  1.0
  Cl  Cl16  1  0.925  0.778  0.319  1.0
  Cl  Cl17  1  0.681  0.075  0.222  1.0
  Cl  Cl18  1  0.222  0.681  0.075  1.0
[/CIF]
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