The material structure described by CsEr6CI12 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 4-coordinate geometry to two equivalent I(2) and two equivalent I(3) atoms. There are three inequivalent Er sites. In the first Er site, Er(1) is bonded in a 3-coordinate geometry to one C(1), one I(2), one I(3), one I(5), and one I(6) atom. In the second Er site, Er(2) is bonded in a 5-coordinate geometry to one C(1), one I(1), one I(3), one I(4), and one I(5) atom. In the third Er site, Er(3) is bonded in a 1-coordinate geometry to one C(1), one I(2), and two equivalent I(6) atoms. C(1) is bonded in a 6-coordinate geometry to two equivalent Er(1), two equivalent Er(2), and two equivalent Er(3) atoms. There are six inequivalent I sites. In the first I site, I(1) is bonded in a single-bond geometry to one Er(2) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to one Cs(1), one Er(1), and one Er(3) atom. In the third I site, I(3) is bonded in a 3-coordinate geometry to one Cs(1), one Er(1), and one Er(2) atom. In the fourth I site, I(4) is bonded in a distorted single-bond geometry to one Er(2) atom. In the fifth I site, I(5) is bonded in a 2-coordinate geometry to one Er(1) and one Er(2) atom. In the sixth I site, I(6) is bonded in a distorted T-shaped geometry to one Er(1) and two equivalent Er(3) atoms. is represented by the CIF file [CIF]
data_CsEr6CI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.528
_cell_length_b   9.233
_cell_length_c   9.233
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   481.923
_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
  Cs  Cs0  1  0.500  0.500  0.500  1.0
  Er  Er1  1  0.029  0.735  0.912  1.0
  Er  Er2  1  0.912  0.971  0.265  1.0
  Er  Er3  1  0.735  0.912  0.971  1.0
  Er  Er4  1  0.971  0.265  0.088  1.0
  Er  Er5  1  0.088  0.029  0.735  1.0
  Er  Er6  1  0.265  0.088  0.029  1.0
  C  C7  1  0.000  0.000  0.000  1.0
  I  I8  1  0.580  0.855  0.281  1.0
  I  I9  1  0.281  0.420  0.145  1.0
  I  I10  1  0.145  0.719  0.580  1.0
  I  I11  1  0.420  0.145  0.719  1.0
  I  I12  1  0.719  0.580  0.855  1.0
  I  I13  1  0.855  0.281  0.420  1.0
  I  I14  1  0.788  0.931  0.640  1.0
  I  I15  1  0.069  0.360  0.788  1.0
  I  I16  1  0.640  0.212  0.069  1.0
  I  I17  1  0.212  0.069  0.360  1.0
  I  I18  1  0.931  0.640  0.212  1.0
  I  I19  1  0.360  0.788  0.931  1.0
[/CIF]
.
The material structure described by CsEr6CI12 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 4-coordinate geometry to two equivalent I(2) and two equivalent I(3) atoms. There are three inequivalent Er sites. In the first Er site, Er(1) is bonded in a 3-coordinate geometry to one C(1), one I(2), one I(3), one I(5), and one I(6) atom. In the second Er site, Er(2) is bonded in a 5-coordinate geometry to one C(1), one I(1), one I(3), one I(4), and one I(5) atom. In the third Er site, Er(3) is bonded in a 1-coordinate geometry to one C(1), one I(2), and two equivalent I(6) atoms. C(1) is bonded in a 6-coordinate geometry to two equivalent Er(1), two equivalent Er(2), and two equivalent Er(3) atoms. There are six inequivalent I sites. In the first I site, I(1) is bonded in a single-bond geometry to one Er(2) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to one Cs(1), one Er(1), and one Er(3) atom. In the third I site, I(3) is bonded in a 3-coordinate geometry to one Cs(1), one Er(1), and one Er(2) atom. In the fourth I site, I(4) is bonded in a distorted single-bond geometry to one Er(2) atom. In the fifth I site, I(5) is bonded in a 2-coordinate geometry to one Er(1) and one Er(2) atom. In the sixth I site, I(6) is bonded in a distorted T-shaped geometry to one Er(1) and two equivalent Er(3) atoms. is represented by the CIF file [CIF]
data_CsEr6CI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.528
_cell_length_b   9.233
_cell_length_c   9.233
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   481.923
_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
  Cs  Cs0  1  0.500  0.500  0.500  1.0
  Er  Er1  1  0.029  0.735  0.912  1.0
  Er  Er2  1  0.912  0.971  0.265  1.0
  Er  Er3  1  0.735  0.912  0.971  1.0
  Er  Er4  1  0.971  0.265  0.088  1.0
  Er  Er5  1  0.088  0.029  0.735  1.0
  Er  Er6  1  0.265  0.088  0.029  1.0
  C  C7  1  0.000  0.000  0.000  1.0
  I  I8  1  0.580  0.855  0.281  1.0
  I  I9  1  0.281  0.420  0.145  1.0
  I  I10  1  0.145  0.719  0.580  1.0
  I  I11  1  0.420  0.145  0.719  1.0
  I  I12  1  0.719  0.580  0.855  1.0
  I  I13  1  0.855  0.281  0.420  1.0
  I  I14  1  0.788  0.931  0.640  1.0
  I  I15  1  0.069  0.360  0.788  1.0
  I  I16  1  0.640  0.212  0.069  1.0
  I  I17  1  0.212  0.069  0.360  1.0
  I  I18  1  0.931  0.640  0.212  1.0
  I  I19  1  0.360  0.788  0.931  1.0
[/CIF]
.