The material structure described by Gd3CI3 is Krennerite-derived structured and crystallizes in the monoclinic Pm space group. There are six inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 6-coordinate geometry to one C(1), two equivalent C(2), one I(1), and two equivalent I(6) atoms. In the second Gd site, Gd(2) is bonded in a 6-coordinate geometry to one C(2), two equivalent C(1), one I(2), and two equivalent I(5) atoms. In the third Gd site, Gd(3) is bonded in a 6-coordinate geometry to one C(1), one I(1), two equivalent I(2), and two equivalent I(4) atoms. In the fourth Gd site, Gd(4) is bonded in a 6-coordinate geometry to one C(2), one I(2), two equivalent I(1), and two equivalent I(3) atoms. In the fifth Gd site, Gd(5) is bonded in a 6-coordinate geometry to two equivalent C(2), one I(3), one I(5), and two equivalent I(6) atoms. In the sixth Gd site, Gd(6) is bonded in a 6-coordinate geometry to two equivalent C(1), one I(4), one I(6), and two equivalent I(5) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded to one Gd(1), one Gd(3), two equivalent Gd(2), and two equivalent Gd(6) atoms to form edge-sharing CGd6 octahedra. In the second C site, C(2) is bonded to one Gd(2), one Gd(4), two equivalent Gd(1), and two equivalent Gd(5) atoms to form edge-sharing CGd6 octahedra. There are six inequivalent I sites. In the first I site, I(1) is bonded in a 4-coordinate geometry to one Gd(1), one Gd(3), and two equivalent Gd(4) atoms. In the second I site, I(2) is bonded in a 4-coordinate geometry to one Gd(2), one Gd(4), and two equivalent Gd(3) atoms. In the third I site, I(3) is bonded in a 3-coordinate geometry to one Gd(5) and two equivalent Gd(4) atoms. In the fourth I site, I(4) is bonded in a 3-coordinate geometry to one Gd(6) and two equivalent Gd(3) atoms. In the fifth I site, I(5) is bonded in a 5-coordinate geometry to one Gd(5), two equivalent Gd(2), and two equivalent Gd(6) atoms. In the sixth I site, I(6) is bonded in a 5-coordinate geometry to one Gd(6), two equivalent Gd(1), and two equivalent Gd(5) atoms. is represented by the CIF file [CIF]
data_Gd3CI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.949
_cell_length_b   8.771
_cell_length_c   11.938
_cell_angle_alpha   92.426
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   413.124
_cell_formula_units_Z   2
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
  Gd  Gd0  1  0.250  0.917  0.599  1.0
  Gd  Gd1  1  0.750  0.082  0.398  1.0
  Gd  Gd2  1  0.250  0.887  0.184  1.0
  Gd  Gd3  1  0.750  0.113  0.817  1.0
  Gd  Gd4  1  0.250  0.294  0.616  1.0
  Gd  Gd5  1  0.750  0.706  0.384  1.0
  C  C6  1  0.250  0.883  0.385  1.0
  C  C7  1  0.750  0.118  0.616  1.0
  I  I8  1  0.250  0.856  0.875  1.0
  I  I9  1  0.750  0.144  0.124  1.0
  I  I10  1  0.250  0.378  0.873  1.0
  I  I11  1  0.750  0.623  0.127  1.0
  I  I12  1  0.250  0.385  0.367  1.0
  I  I13  1  0.750  0.615  0.633  1.0
[/CIF]
.
The material structure described by Gd3CI3 is Krennerite-derived structured and crystallizes in the monoclinic Pm space group. There are six inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 6-coordinate geometry to one C(1), two equivalent C(2), one I(1), and two equivalent I(6) atoms. In the second Gd site, Gd(2) is bonded in a 6-coordinate geometry to one C(2), two equivalent C(1), one I(2), and two equivalent I(5) atoms. In the third Gd site, Gd(3) is bonded in a 6-coordinate geometry to one C(1), one I(1), two equivalent I(2), and two equivalent I(4) atoms. In the fourth Gd site, Gd(4) is bonded in a 6-coordinate geometry to one C(2), one I(2), two equivalent I(1), and two equivalent I(3) atoms. In the fifth Gd site, Gd(5) is bonded in a 6-coordinate geometry to two equivalent C(2), one I(3), one I(5), and two equivalent I(6) atoms. In the sixth Gd site, Gd(6) is bonded in a 6-coordinate geometry to two equivalent C(1), one I(4), one I(6), and two equivalent I(5) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded to one Gd(1), one Gd(3), two equivalent Gd(2), and two equivalent Gd(6) atoms to form edge-sharing CGd6 octahedra. In the second C site, C(2) is bonded to one Gd(2), one Gd(4), two equivalent Gd(1), and two equivalent Gd(5) atoms to form edge-sharing CGd6 octahedra. There are six inequivalent I sites. In the first I site, I(1) is bonded in a 4-coordinate geometry to one Gd(1), one Gd(3), and two equivalent Gd(4) atoms. In the second I site, I(2) is bonded in a 4-coordinate geometry to one Gd(2), one Gd(4), and two equivalent Gd(3) atoms. In the third I site, I(3) is bonded in a 3-coordinate geometry to one Gd(5) and two equivalent Gd(4) atoms. In the fourth I site, I(4) is bonded in a 3-coordinate geometry to one Gd(6) and two equivalent Gd(3) atoms. In the fifth I site, I(5) is bonded in a 5-coordinate geometry to one Gd(5), two equivalent Gd(2), and two equivalent Gd(6) atoms. In the sixth I site, I(6) is bonded in a 5-coordinate geometry to one Gd(6), two equivalent Gd(1), and two equivalent Gd(5) atoms. is represented by the CIF file [CIF]
data_Gd3CI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.949
_cell_length_b   8.771
_cell_length_c   11.938
_cell_angle_alpha   92.426
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   413.124
_cell_formula_units_Z   2
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
  Gd  Gd0  1  0.250  0.917  0.599  1.0
  Gd  Gd1  1  0.750  0.082  0.398  1.0
  Gd  Gd2  1  0.250  0.887  0.184  1.0
  Gd  Gd3  1  0.750  0.113  0.817  1.0
  Gd  Gd4  1  0.250  0.294  0.616  1.0
  Gd  Gd5  1  0.750  0.706  0.384  1.0
  C  C6  1  0.250  0.883  0.385  1.0
  C  C7  1  0.750  0.118  0.616  1.0
  I  I8  1  0.250  0.856  0.875  1.0
  I  I9  1  0.750  0.144  0.124  1.0
  I  I10  1  0.250  0.378  0.873  1.0
  I  I11  1  0.750  0.623  0.127  1.0
  I  I12  1  0.250  0.385  0.367  1.0
  I  I13  1  0.750  0.615  0.633  1.0
[/CIF]
.