data_Gd3W(ClO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.22
_cell_length_b   9.22
_cell_length_c   5.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd3W(ClO2)3
_chemical_formula_sum   'Gd6 W2 Cl6 O12'
_cell_volume   392.68
_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  0.67  0.47  0.0  1.0
  Gd  Gd1  1  0.94  0.51  0.33  1.0
  Gd  Gd2  1  0.03  0.23  0.0  1.0
  Gd  Gd3  1  0.58  0.75  0.33  1.0
  Gd  Gd4  1  0.29  0.26  0.0  1.0
  Gd  Gd5  1  0.32  0.72  0.33  1.0
  W  W6  1  0.61  0.66  0.0  1.0
  W  W7  1  0.0  0.32  0.33  1.0
  Cl  Cl8  1  0.99  0.39  0.0  1.0
  Cl  Cl9  1  0.62  0.59  0.33  1.0
  Cl  Cl10  1  0.89  0.53  0.0  1.0
  Cl  Cl11  1  0.72  0.46  0.33  1.0
  Cl  Cl12  1  0.95  0.07  0.0  1.0
  Cl  Cl13  1  0.66  0.92  0.33  1.0
  O  O14  1  0.13  0.92  0.74  1.0
  O  O15  1  0.48  0.07  0.59  1.0
  O  O16  1  0.13  0.25  0.74  1.0
  O  O17  1  0.48  0.07  0.08  1.0
  O  O18  1  0.48  0.73  0.59  1.0
  O  O19  1  0.13  0.92  0.26  1.0
  O  O20  1  0.57  0.82  0.74  1.0
  O  O21  1  0.48  0.73  0.08  1.0
  O  O22  1  0.04  0.17  0.59  1.0
  O  O23  1  0.13  0.25  0.26  1.0
  O  O24  1  0.04  0.17  0.08  1.0
  O  O25  1  0.57  0.82  0.26  1.0

data_Gd3W(ClO2)3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.33
_cell_length_b   9.22
_cell_length_c   9.22
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Gd3W(ClO2)3
_chemical_formula_sum   'Gd6 W2 Cl6 O12'
_cell_volume   392.68
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.17  0.01  0.23  1.0
  Gd  Gd1  2  0.17  0.27  0.26  1.0
  Gd  Gd2  2  0.17  0.63  0.02  1.0
  W  W3  2  0.17  0.69  0.83  1.0
  Cl  Cl4  2  0.17  0.32  0.1  1.0
  Cl  Cl5  2  0.17  0.35  0.43  1.0
  Cl  Cl6  2  0.17  0.42  0.97  1.0
  O  O7  2  0.09  0.27  0.33  1.0
  O  O8  2  0.09  0.82  0.42  1.0
  O  O9  2  0.09  0.83  0.76  1.0
  O  O10  2  0.42  0.17  0.24  1.0
  O  O11  2  0.42  0.18  0.58  1.0
  O  O12  2  0.42  0.73  0.67  1.0

Gd Gd Gd Gd Gd Gd W W Cl Cl Cl Cl Cl Cl O O O O O O O O O O O O
Gd3W(O2Cl)3 crystallizes in the triclinic P-1 space group. There are three inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 3-coordinate geometry to one W(1), one O(3), and two equivalent Cl(2) atoms. The Gd(1)-W(1) bond length is 2.10 Å. The Gd(1)-O(3) bond length is 3.25 Å. There is one shorter (1.78 Å) and one longer (1.86 Å) Gd(1)-Cl(2) bond length. In the second Gd site, Gd(2) is bonded in a single-bond geometry to one W(1), one O(2), one O(5), one O(6), and one Cl(1) atom. The Gd(2)-W(1) bond length is 2.05 Å. The Gd(2)-O(2) bond length is 1.60 Å. The Gd(2)-O(5) bond length is 1.60 Å. The Gd(2)-O(6) bond length is 0.75 Å. The Gd(2)-Cl(1) bond length is 1.71 Å. In the third Gd site, Gd(3) is bonded in a 2-coordinate geometry to one O(1), one O(2), one O(5), and two equivalent O(3) atoms. The Gd(3)-O(1) bond length is 3.11 Å. The Gd(3)-O(2) bond length is 1.98 Å. The Gd(3)-O(5) bond length is 1.98 Å. Both Gd(3)-O(3) bond lengths are 3.11 Å. W(1) is bonded in a 5-coordinate geometry to one Gd(1), one Gd(2), one O(4), one O(5), and one Cl(1) atom. The W(1)-O(4) bond length is 2.15 Å. The W(1)-O(5) bond length is 1.70 Å. The W(1)-Cl(1) bond length is 1.91 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Gd(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Gd(2), one Gd(3), and one O(4) atom. The O(2)-O(4) bond length is 1.15 Å. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Gd(1) and two equivalent Gd(3) atoms. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one W(1), one O(2), and one O(5) atom. The O(4)-O(5) bond length is 1.96 Å. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Gd(2), one Gd(3), one W(1), one O(4), and one O(6) atom. The O(5)-O(6) bond length is 1.27 Å. In the sixth O site, O(6) is bonded in a single-bond geometry to one Gd(2), one O(5), and one Cl(3) atom. The O(6)-Cl(3) bond length is 0.94 Å. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 1-coordinate geometry to one Gd(2) and one W(1) atom. In the second Cl site, Cl(2) is bonded in a water-like geometry to two equivalent Gd(1) atoms. In the third Cl site, Cl(3) is bonded in a distorted single-bond geometry to one O(6) atom.