The structure described by Gd3NbS3O4 crystallizes in the orthorhombic Pna2_1 space group. There are three inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(3), one O(1), one O(2), one O(3), and one O(4) atom. In the second Gd site, Gd(2) is bonded in a 8-coordinate geometry to one S(3), two equivalent S(1), two equivalent S(2), one O(1), one O(2), and one O(4) atom. In the third Gd site, Gd(3) is bonded in a 9-coordinate geometry to one S(3), two equivalent S(1), two equivalent S(2), one O(1), one O(4), and two equivalent O(3) atoms. Nb(1) is bonded in a 4-coordinate geometry to one S(2), one S(3), one O(1), one O(2), one O(3), and one O(4) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to two equivalent Gd(1), two equivalent Gd(2), and two equivalent Gd(3) atoms. In the second S site, S(2) is bonded to two equivalent Gd(2), two equivalent Gd(3), and one Nb(1) atom to form distorted SGd4Nb trigonal bipyramids that share  a cornercorner with one O(4)Gd3Nb tetrahedra, corners with three equivalent S(3)Gd4Nb trigonal bipyramids, corners with five equivalent O(1)Gd3Nb trigonal pyramids, edges with two equivalent O(4)Gd3Nb tetrahedra,  an edgeedge with one S(3)Gd4Nb trigonal bipyramid, and edges with two equivalent S(2)Gd4Nb trigonal bipyramids. In the third S site, S(3) is bonded to one Gd(2), one Gd(3), two equivalent Gd(1), and one Nb(1) atom to form distorted SGd4Nb trigonal bipyramids that share  a cornercorner with one O(4)Gd3Nb tetrahedra, corners with two equivalent S(3)Gd4Nb trigonal bipyramids, corners with three equivalent S(2)Gd4Nb trigonal bipyramids, corners with three equivalent O(1)Gd3Nb trigonal pyramids, edges with two equivalent O(4)Gd3Nb tetrahedra,  an edgeedge with one S(2)Gd4Nb trigonal bipyramid, and  an edgeedge with one O(1)Gd3Nb trigonal pyramid. There are four inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Gd(1), one Gd(2), and one Nb(1) atom. In the second O site, O(3) is bonded in a 3-coordinate geometry to one Gd(1), two equivalent Gd(3), and one Nb(1) atom. In the third O site, O(4) is bonded to one Gd(1), one Gd(2), one Gd(3), and one Nb(1) atom to form OGd3Nb tetrahedra that share  a cornercorner with one S(2)Gd4Nb trigonal bipyramid,  a cornercorner with one S(3)Gd4Nb trigonal bipyramid, corners with two equivalent O(1)Gd3Nb trigonal pyramids, edges with two equivalent S(2)Gd4Nb trigonal bipyramids, edges with two equivalent S(3)Gd4Nb trigonal bipyramids, and  an edgeedge with one O(1)Gd3Nb trigonal pyramid. In the fourth O site, O(1) is bonded to one Gd(1), one Gd(2), one Gd(3), and one Nb(1) atom to form distorted OGd3Nb trigonal pyramids that share corners with two equivalent O(4)Gd3Nb tetrahedra, corners with three equivalent S(3)Gd4Nb trigonal bipyramids, corners with five equivalent S(2)Gd4Nb trigonal bipyramids,  an edgeedge with one O(4)Gd3Nb tetrahedra, and  an edgeedge with one S(3)Gd4Nb trigonal bipyramid. is represented by the CIF card [CIF]
data_Gd3NbS3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.676
_cell_length_b   7.639
_cell_length_c   14.344
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   731.548
_cell_formula_units_Z   4
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  0.776  0.750  0.581  1.0
  Gd  Gd1  1  0.224  0.250  0.419  1.0
  Gd  Gd2  1  0.724  0.250  0.081  1.0
  Gd  Gd3  1  0.276  0.750  0.919  1.0
  Gd  Gd4  1  0.217  0.006  0.657  1.0
  Gd  Gd5  1  0.783  0.506  0.343  1.0
  Gd  Gd6  1  0.283  0.506  0.157  1.0
  Gd  Gd7  1  0.717  0.006  0.843  1.0
  Gd  Gd8  1  0.226  0.495  0.665  1.0
  Gd  Gd9  1  0.774  0.995  0.335  1.0
  Gd  Gd10  1  0.274  0.995  0.165  1.0
  Gd  Gd11  1  0.726  0.495  0.835  1.0
  Nb  Nb12  1  0.816  0.262  0.572  1.0
  Nb  Nb13  1  0.184  0.762  0.428  1.0
  Nb  Nb14  1  0.684  0.762  0.072  1.0
  Nb  Nb15  1  0.316  0.262  0.928  1.0
  S  S16  1  0.502  0.757  0.726  1.0
  S  S17  1  0.498  0.257  0.274  1.0
  S  S18  1  0.998  0.257  0.226  1.0
  S  S19  1  0.002  0.757  0.774  1.0
  S  S20  1  0.546  0.243  0.702  1.0
  S  S21  1  0.454  0.743  0.298  1.0
  S  S22  1  0.954  0.743  0.202  1.0
  S  S23  1  0.046  0.243  0.798  1.0
  S  S24  1  0.475  0.975  0.494  1.0
  S  S25  1  0.525  0.475  0.506  1.0
  S  S26  1  0.025  0.475  0.994  1.0
  S  S27  1  0.975  0.975  0.006  1.0
  O  O28  1  0.856  0.244  0.437  1.0
  O  O29  1  0.144  0.744  0.563  1.0
  O  O30  1  0.644  0.744  0.937  1.0
  O  O31  1  0.356  0.244  0.063  1.0
  O  O32  1  0.875  0.027  0.615  1.0
  O  O33  1  0.125  0.527  0.385  1.0
  O  O34  1  0.625  0.527  0.115  1.0
  O  O35  1  0.375  0.027  0.885  1.0
  O  O36  1  0.882  0.479  0.633  1.0
  O  O37  1  0.118  0.979  0.367  1.0
  O  O38  1  0.618  0.979  0.133  1.0
  O  O39  1  0.382  0.479  0.867  1.0
  O  O40  1  0.135  0.259  0.573  1.0
  O  O41  1  0.865  0.759  0.427  1.0
  O  O42  1  0.365  0.759  0.073  1.0
  O  O43  1  0.635  0.259  0.927  1.0
[/CIF]
.
The structure described by Gd3NbS3O4 crystallizes in the orthorhombic Pna2_1 space group. There are three inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(3), one O(1), one O(2), one O(3), and one O(4) atom. In the second Gd site, Gd(2) is bonded in a 8-coordinate geometry to one S(3), two equivalent S(1), two equivalent S(2), one O(1), one O(2), and one O(4) atom. In the third Gd site, Gd(3) is bonded in a 9-coordinate geometry to one S(3), two equivalent S(1), two equivalent S(2), one O(1), one O(4), and two equivalent O(3) atoms. Nb(1) is bonded in a 4-coordinate geometry to one S(2), one S(3), one O(1), one O(2), one O(3), and one O(4) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to two equivalent Gd(1), two equivalent Gd(2), and two equivalent Gd(3) atoms. In the second S site, S(2) is bonded to two equivalent Gd(2), two equivalent Gd(3), and one Nb(1) atom to form distorted SGd4Nb trigonal bipyramids that share  a cornercorner with one O(4)Gd3Nb tetrahedra, corners with three equivalent S(3)Gd4Nb trigonal bipyramids, corners with five equivalent O(1)Gd3Nb trigonal pyramids, edges with two equivalent O(4)Gd3Nb tetrahedra,  an edgeedge with one S(3)Gd4Nb trigonal bipyramid, and edges with two equivalent S(2)Gd4Nb trigonal bipyramids. In the third S site, S(3) is bonded to one Gd(2), one Gd(3), two equivalent Gd(1), and one Nb(1) atom to form distorted SGd4Nb trigonal bipyramids that share  a cornercorner with one O(4)Gd3Nb tetrahedra, corners with two equivalent S(3)Gd4Nb trigonal bipyramids, corners with three equivalent S(2)Gd4Nb trigonal bipyramids, corners with three equivalent O(1)Gd3Nb trigonal pyramids, edges with two equivalent O(4)Gd3Nb tetrahedra,  an edgeedge with one S(2)Gd4Nb trigonal bipyramid, and  an edgeedge with one O(1)Gd3Nb trigonal pyramid. There are four inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Gd(1), one Gd(2), and one Nb(1) atom. In the second O site, O(3) is bonded in a 3-coordinate geometry to one Gd(1), two equivalent Gd(3), and one Nb(1) atom. In the third O site, O(4) is bonded to one Gd(1), one Gd(2), one Gd(3), and one Nb(1) atom to form OGd3Nb tetrahedra that share  a cornercorner with one S(2)Gd4Nb trigonal bipyramid,  a cornercorner with one S(3)Gd4Nb trigonal bipyramid, corners with two equivalent O(1)Gd3Nb trigonal pyramids, edges with two equivalent S(2)Gd4Nb trigonal bipyramids, edges with two equivalent S(3)Gd4Nb trigonal bipyramids, and  an edgeedge with one O(1)Gd3Nb trigonal pyramid. In the fourth O site, O(1) is bonded to one Gd(1), one Gd(2), one Gd(3), and one Nb(1) atom to form distorted OGd3Nb trigonal pyramids that share corners with two equivalent O(4)Gd3Nb tetrahedra, corners with three equivalent S(3)Gd4Nb trigonal bipyramids, corners with five equivalent S(2)Gd4Nb trigonal bipyramids,  an edgeedge with one O(4)Gd3Nb tetrahedra, and  an edgeedge with one S(3)Gd4Nb trigonal bipyramid. is represented by the CIF card [CIF]
data_Gd3NbS3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.676
_cell_length_b   7.639
_cell_length_c   14.344
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   731.548
_cell_formula_units_Z   4
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  0.776  0.750  0.581  1.0
  Gd  Gd1  1  0.224  0.250  0.419  1.0
  Gd  Gd2  1  0.724  0.250  0.081  1.0
  Gd  Gd3  1  0.276  0.750  0.919  1.0
  Gd  Gd4  1  0.217  0.006  0.657  1.0
  Gd  Gd5  1  0.783  0.506  0.343  1.0
  Gd  Gd6  1  0.283  0.506  0.157  1.0
  Gd  Gd7  1  0.717  0.006  0.843  1.0
  Gd  Gd8  1  0.226  0.495  0.665  1.0
  Gd  Gd9  1  0.774  0.995  0.335  1.0
  Gd  Gd10  1  0.274  0.995  0.165  1.0
  Gd  Gd11  1  0.726  0.495  0.835  1.0
  Nb  Nb12  1  0.816  0.262  0.572  1.0
  Nb  Nb13  1  0.184  0.762  0.428  1.0
  Nb  Nb14  1  0.684  0.762  0.072  1.0
  Nb  Nb15  1  0.316  0.262  0.928  1.0
  S  S16  1  0.502  0.757  0.726  1.0
  S  S17  1  0.498  0.257  0.274  1.0
  S  S18  1  0.998  0.257  0.226  1.0
  S  S19  1  0.002  0.757  0.774  1.0
  S  S20  1  0.546  0.243  0.702  1.0
  S  S21  1  0.454  0.743  0.298  1.0
  S  S22  1  0.954  0.743  0.202  1.0
  S  S23  1  0.046  0.243  0.798  1.0
  S  S24  1  0.475  0.975  0.494  1.0
  S  S25  1  0.525  0.475  0.506  1.0
  S  S26  1  0.025  0.475  0.994  1.0
  S  S27  1  0.975  0.975  0.006  1.0
  O  O28  1  0.856  0.244  0.437  1.0
  O  O29  1  0.144  0.744  0.563  1.0
  O  O30  1  0.644  0.744  0.937  1.0
  O  O31  1  0.356  0.244  0.063  1.0
  O  O32  1  0.875  0.027  0.615  1.0
  O  O33  1  0.125  0.527  0.385  1.0
  O  O34  1  0.625  0.527  0.115  1.0
  O  O35  1  0.375  0.027  0.885  1.0
  O  O36  1  0.882  0.479  0.633  1.0
  O  O37  1  0.118  0.979  0.367  1.0
  O  O38  1  0.618  0.979  0.133  1.0
  O  O39  1  0.382  0.479  0.867  1.0
  O  O40  1  0.135  0.259  0.573  1.0
  O  O41  1  0.865  0.759  0.427  1.0
  O  O42  1  0.365  0.759  0.073  1.0
  O  O43  1  0.635  0.259  0.927  1.0
[/CIF]
.