data_GdV2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   6.29
_cell_angle_alpha   118.94
_cell_angle_beta   118.94
_cell_angle_gamma   91.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GdV2O4
_chemical_formula_sum   'Gd2 V4 O8'
_cell_volume   178.53
_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  0.0  0.19  0.19  1.0
  Gd  Gd1  1  0.0  0.0  0.0  1.0
  V  V10  1  0.0  0.6  0.47  1.0
  V  V11  1  0.19  0.6  0.09  1.0
  V  V12  1  0.6  0.0  0.28  1.0
  V  V13  1  0.6  0.19  0.91  1.0
  O  O2  1  0.8  0.0  0.19  1.0
  O  O3  1  0.59  0.0  0.19  1.0
  O  O4  1  0.19  0.6  0.19  1.0
  O  O5  1  0.19  0.8  0.0  1.0
  O  O6  1  0.19  0.4  0.19  1.0
  O  O7  1  0.0  0.4  0.37  1.0
  O  O8  1  0.8  0.19  1.0  1.0
  O  O9  1  0.4  0.0  0.37  1.0

data_GdV2O4
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   6.29
_cell_angle_alpha   91.85
_cell_angle_beta   118.94
_cell_angle_gamma   118.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GdV2O4
_chemical_formula_sum   'Gd2 V4 O8'
_cell_volume   178.53
_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  0.0  0.0  0.0  1.0
  Gd  Gd1  1  0.19  0.0  0.19  1.0
  V  V2  1  0.09  0.19  0.6  1.0
  V  V3  1  0.28  0.6  0.0  1.0
  V  V4  1  0.47  0.0  0.6  1.0
  V  V5  1  0.91  0.6  0.19  1.0
  O  O6  1  0.0  0.19  0.8  1.0
  O  O7  1  0.19  0.19  0.6  1.0
  O  O8  1  0.19  0.19  0.4  1.0
  O  O9  1  0.19  0.59  0.0  1.0
  O  O10  1  0.19  0.8  0.0  1.0
  O  O11  1  0.37  0.4  0.0  1.0
  O  O12  1  0.37  0.0  0.4  1.0
  O  O13  1  1.0  0.8  0.19  1.0

Gd Gd V V V V O O O O O O O O
GdV2O4GdVO2VO2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one hydroxy(oxo)vanadium molecule, one GdV2O4 cluster, and one GdVO2 cluster. In the GdV2O4 cluster, Gd(1) is bonded in a 2-coordinate geometry to one O(1), one O(5), one O(6), and one O(7) atom. The Gd(1)-O(1) bond length is 1.74 Å. The Gd(1)-O(5) bond length is 1.74 Å. The Gd(1)-O(6) bond length is 1.25 Å. The Gd(1)-O(7) bond length is 1.25 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a single-bond geometry to one O(6) atom. The V(1)-O(6) bond length is 1.10 Å. In the second V site, V(4) is bonded in a single-bond geometry to one O(7) atom. The V(4)-O(7) bond length is 1.10 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Gd(1) atom. In the second O site, O(5) is bonded in a distorted single-bond geometry to one Gd(1) atom. In the third O site, O(6) is bonded in a bent 150 degrees geometry to one Gd(1) and one V(1) atom. In the fourth O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Gd(1) and one V(4) atom. In the GdVO2 cluster, Gd(2) is bonded in a 1-coordinate geometry to one O(4) atom. The Gd(2)-O(4) bond length is 1.80 Å. V(2) is bonded in a distorted single-bond geometry to one O(3) and one O(4) atom. The V(2)-O(3) bond length is 0.57 Å. The V(2)-O(4) bond length is 1.62 Å. There are two inequivalent O sites. In the first O site, O(3) is bonded in a single-bond geometry to one V(2) atom. In the second O site, O(4) is bonded in a 2-coordinate geometry to one Gd(2) and one V(2) atom.