The structure described by Sc7CoI12 crystallizes in the trigonal R-3 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in an octahedral geometry to six equivalent I(2) atoms. In the second Sc site, Sc(2) is bonded in a 6-coordinate geometry to one Co(1), two equivalent I(2), and three equivalent I(1) atoms. Co(1) is bonded in an octahedral geometry to six equivalent Sc(2) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to three equivalent Sc(2) atoms. In the second I site, I(2) is bonded in a distorted T-shaped geometry to one Sc(1) and two equivalent Sc(2) atoms. is represented by the CIF file [CIF]
data_Sc7CoI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.350
_cell_length_b   9.350
_cell_length_c   9.350
_cell_angle_alpha   107.185
_cell_angle_beta   107.185
_cell_angle_gamma   107.185
_symmetry_Int_Tables_number   1
_cell_volume   677.233
_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  0.977  0.911  0.720  1.0
  Sc  Sc2  1  0.720  0.977  0.911  1.0
  Sc  Sc3  1  0.911  0.720  0.977  1.0
  Sc  Sc4  1  0.023  0.089  0.280  1.0
  Sc  Sc5  1  0.280  0.023  0.089  1.0
  Sc  Sc6  1  0.089  0.280  0.023  1.0
  Co  Co7  1  0.000  0.000  0.000  1.0
  I  I8  1  0.073  0.224  0.686  1.0
  I  I9  1  0.686  0.073  0.224  1.0
  I  I10  1  0.224  0.686  0.073  1.0
  I  I11  1  0.927  0.776  0.314  1.0
  I  I12  1  0.314  0.927  0.776  1.0
  I  I13  1  0.776  0.314  0.927  1.0
  I  I14  1  0.615  0.840  0.541  1.0
  I  I15  1  0.541  0.615  0.840  1.0
  I  I16  1  0.840  0.541  0.615  1.0
  I  I17  1  0.385  0.160  0.459  1.0
  I  I18  1  0.459  0.385  0.160  1.0
  I  I19  1  0.160  0.459  0.385  1.0
[/CIF]
.
The structure described by Sc7CoI12 crystallizes in the trigonal R-3 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in an octahedral geometry to six equivalent I(2) atoms. In the second Sc site, Sc(2) is bonded in a 6-coordinate geometry to one Co(1), two equivalent I(2), and three equivalent I(1) atoms. Co(1) is bonded in an octahedral geometry to six equivalent Sc(2) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to three equivalent Sc(2) atoms. In the second I site, I(2) is bonded in a distorted T-shaped geometry to one Sc(1) and two equivalent Sc(2) atoms. is represented by the CIF file [CIF]
data_Sc7CoI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.350
_cell_length_b   9.350
_cell_length_c   9.350
_cell_angle_alpha   107.185
_cell_angle_beta   107.185
_cell_angle_gamma   107.185
_symmetry_Int_Tables_number   1
_cell_volume   677.233
_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  0.977  0.911  0.720  1.0
  Sc  Sc2  1  0.720  0.977  0.911  1.0
  Sc  Sc3  1  0.911  0.720  0.977  1.0
  Sc  Sc4  1  0.023  0.089  0.280  1.0
  Sc  Sc5  1  0.280  0.023  0.089  1.0
  Sc  Sc6  1  0.089  0.280  0.023  1.0
  Co  Co7  1  0.000  0.000  0.000  1.0
  I  I8  1  0.073  0.224  0.686  1.0
  I  I9  1  0.686  0.073  0.224  1.0
  I  I10  1  0.224  0.686  0.073  1.0
  I  I11  1  0.927  0.776  0.314  1.0
  I  I12  1  0.314  0.927  0.776  1.0
  I  I13  1  0.776  0.314  0.927  1.0
  I  I14  1  0.615  0.840  0.541  1.0
  I  I15  1  0.541  0.615  0.840  1.0
  I  I16  1  0.840  0.541  0.615  1.0
  I  I17  1  0.385  0.160  0.459  1.0
  I  I18  1  0.459  0.385  0.160  1.0
  I  I19  1  0.160  0.459  0.385  1.0
[/CIF]
.